Properties
Canonical smiles
CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)O)C)CO
Catalog
CAS COVID-19 Anti-Viral Candidate Compounds
Chemical formula
C₃₀H₅₀O₂
Found in taxon
Garcinia gardneriana, Doliocarpus dentatus, Q901484, Fagonia indica, Diospyros abyssinica, Diospyros canaliculata, Diospyros chevalieri, Diospyros cinnabarina, Diospyros crassiflora, Q17242743, Diospyros dendo, Diospyros fragrans, Diospyros gabunensis, Diospyros gracilescens, Diospyros hoyleana, Q15340102, Diospyros kamerunensis, Diospyros longiflora, Diospyros mespiliformis, Diospyros monbuttensis, Diospyros sanza-minika, Diospyros zenkeri, Q428023, Betula papyrifera, Comptonia peregrina, Fraxinus americana, Ilex verticillata, Juniperus communis, Juniperus horizontalis, Larix laricina, Myrica cerifera, Picea mariana, Prunus pensylvanica, Rhus typhina, Sorbus americana, Tsuga canadensis, Viburnum nudum var. cassinoides, Avicennia officinalis, Acanthus ilicifolius, Bruguiera gymnorrhiza, Ceriops decandra, Derris trifoliata, Rhizophora mucronata, Suaeda maritima, Cichorium intybus, common myrtle, Byrsonima microphylla, Celtis philippinensis, Ceriops tagal, Q15535512, Coussarea paniculata, Dalbergia sericea, Diospyros argentea, Diospyros bipindensis, Diospyros buxifolia, Diospyros ferrea, Diospyros candolleana, Diospyros castanea, Diospyros cauliflora, Diospyros chloroxylon, Diospyros consolatae, Diospyros curranii, Q571266, Diospyros blancoi, Diospyros ebenum, Diospyros elliptifolia, Diospyros embryopteris, Diospyros eriantha, Diospyros evena, Diospyros guianensis, Q15351362, Q15339955, Diospyros kaki, Diospyros lotus, Diospyros maingayi, Diospyros mannii, Q11151358, Diospyros montana, Diospyros moonii, Diospyros morrisiana, Diospyros obliquifolia, Diospyros malabarica, Diospyros quaesita, Diospyros siamang, Diospyros siderophylla, Diospyros singaporensis, Diospyros sumatrana, Q14625008, Diospyros thwaitesii, Diospyros virginiana, Diospyros walkeri, Diospyros wallichii, Euclea divinorum, Q13034883, Euphorbia paralias, Jasminum lanceolarium, Lespedeza bicolor, Monteverdia chiapensis, Melaleuca ericifolia, Pellia epiphylla, Pterocarpus santalinus, Syzygium formosanum, Clinopodium acinos, Alphitonia whitei, Alstonia scholaris, Alyxia levinei, Alyxia sinensis, Amanoa oblongifolia, Ampelozizyphus amazonicus, Ancistrocladus cochinchinensis, Ancistrocladus tectorius, Anemone raddeana, Anisacanthus virgularis, Q329046, Arnebia hispidissima, Artocarpus integer, Q4085314, Blau-Birke, Betula cordifolia, Betula davurica, Betula ermanii, Betula lenta, Q1623892, Betula fruticosa, Betula ovalifolia, Betula platyphylla, Betula populifolia, Betula schmidtii, Bowdichia virgilioides, Bupleurum salicifolium, Byrsonima crassifolia, Bystropogon canariensis, Caraipa densifolia, Senna siamea, Cassinia uncata, Celtis philippensis, Centaurea horrida, Chuquiraga atacamensis, Coccinia grandis, Coccoloba acrostichoides, Cornus capitata, Crataegus pinnatifida, Croton megalocarpus, Cussonia spicata, Cyclolepis genistoides, Diospyros nigra, Diospyros rhodocalyx, Dracaena cinnabari, Eleocharis dulcis, Euclea crispa, Euphorbia trigona, Euphorbia heteradena, Euphorbia micractina, Euphorbia myrsinites, Euphorbia retusa, Q170662, Garcinia xanthochymus, Glechoma hirsuta, Q17573777, Hedyotis lawsoniae, Ozothamnus bilobus, Hygrophila auriculata, Hypoestes purpurea, Hyssopus seravschanicus, Ilex latifolia, Ilex macropoda, Isodon eriocalyx, Juglans regia, Lavandula spica, Leptospermum scoparium, Lumnitzera racemosa, Maerua oblongifolia, Maytenus boaria, Monteverdia ilicifolia, Q15474322, Melilotus siculus, Microcybe multiflora, Mitrephora heyneana, Nerium oleander, basil, Origanum compactum, Q6053590, Paliurus hemsleyanus, Phyllanthus flexuosus, Pittosporum pentandrum, Oryza coarctata, Pterodon emarginatus, Pyrus communis, Quercus suber, Isodon adenanthus, Rhododendron dauricum, Rhododendron ledebourii, Hippobromus pauciflorus, Rosa taiwanensis, Salacia beddomei, Salacia cordata, Salvia beckeri, Salvia thymoides, Salvia xalapensis, Sarracenia flava, Scaevola floribunda, Symplocos racemosa, Tabebuia rosea, Terminalia glabrescens, Trichosanthes cucumeroides, Trichosanthes dioica, Valeriana laxiflora, Vatica cinerea, Vitis vinifera, Woodfordia fruticosa, Zataria multiflora, Ziziphus jujuba, Euptelea polyandra, Senegalia modesta, Bacopa monnieri, Camchaya loloana, Dracocephalum forrestii, Dracocephalum peregrinum, Strobilanthes psilostachys, Guazuma ulmifolia, Ozothamnus argophyllus, Talipariti tiliaceum, Lophopetalum javanicum, Luehea candicans, Mallotus philippensis, Monteverdia rigida, Rhodomyrtus tomentosa, Q15345521, Pinus wallichiana, Plumeria obtusa, Poncirus trifoliata, Q54370273, Premna tomentosa, Psorospermum tenuifolium, Oedera calycina, Relhania calycina, Rhus chinensis, Brucea javanica, Q10748363, Sambucus nigra, Solanum aethiopicum, Sorbus decora, Tricholepis glaberrima, Vatica diospyroides, Q1818806, Ozothamnus adnatus, Rhododendron sichotense, Ligustrum japonicum, Helichrysum ferrugineum, Helichrysum herbaceum, Anisacanthus quadrifidus, Maytenus canariensis, Strobilanthes dimorphotricha, Strobilanthes pentstemonoides, Torenia anagallis, Hygrophila schulli, Garcinia brasiliensis, Stauntonia yaoshanensis, Bupleurum spinosum, Monteverdia truncata, Bupleurum fruticescens, Diospyros leucomelas, Alnus rugosa, Rosmarinus officinalis, Euphorbia sulcata, Lavandula latifolia, Ligustrum lucidum, Euphorbia broteri, Diospyros melanoxylon, Salvia officinalis, Q2704877, Euonymus carnosus, Bruguiera gymnorhiza, Euphorbia oxyphylla, Ziziphus spina-christi, Moquilea pyrifolia, Betula pendula, Betula pubescens, Monteverdia cuzcoina, Senegalia mellifera, Grewia damine, Pellia neesiana, Lavandula angustifolia, Diospyros verrucosa, broad bean
Isomeric smiles
CC(=C)[C@@H]1CC[C@]2([C@H]1[C@H]3CC[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)O)C)CO
Mass
+442.381
Melting point
+251
Solubility
+0.0001
Stereoisomer of
(1R,3aS,5aR,5bR,7aS,9S,11aR,11bR,13aR,13bR)-3a-(hydroxymethyl)-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-ol, (1R,3aR,5aS,5bR,7aS,9S,11aR,11bS,13aS,13bR)-3a-(hydroxymethyl)-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-ol, (1R,3aS,5aR,5bR,7aR,9S,11aS,11bS,13aR,13bR)-3a-(hydroxymethyl)-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-ol, (1R,3aS,5aR,5bR,7aR,9R,11aR,11bR,13aR,13bS)-3a-(hydroxymethyl)-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-ol, (1R,3aS,5aR,5bR,7aR,9S,11aS,11bS,13aR,13bS)-3a-(hydroxymethyl)-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-ol, (1R,3aS,5aR,5bR,7aR,9S,11aR,11bS,13aR,13bS)-3a-(hydroxymethyl)-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-ol, (1R,3aS,5aR,5bR,7aR,9S,11aR,11bS,13aR,13bR)-3a-(hydroxymethyl)-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-ol, (1R,3aS,5aR,5bR,7aR,9R,11aR,11bR,13aR,13bR)-3a-(hydroxymethyl)-1-isopropenyl-5a,5b,8,8,11a-pentamethyl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-ol, (1S,3aS,5aS,5bR,7aR,9S,11aR,11bS,13aR,13bS)-3a-(hydroxymethyl)-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-ol, (1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bS)-3a-(hydroxymethyl)-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-ol
External References (32)
Art & architecture thesaurus id
300380221
Cab id
61143
Cas registry number
473-98-3
Chebi id
3086
Chembl id
CHEMBL23236
Chemspider id
65272
Cosing number
82348
Drugbank id
DB16890
Dsstox substance id
DTXSID101019934
Ec number
207-475-5
Echa substance infocard id
100.006.797
Freebase id
/m/0h4t8f
Human metabolome database id
HMDB0036838
Inchi
InChI=1S/C30H50O2/c1-19(2)20-10-15-30(18-31)17-16-28(6)21(25(20)30)8-9-23-27(5)13-12-24(32)26(3,4)22(27)11-14-29(23,28)7/h20-25,31-32H,1,8-18H2,2-7H3/t20-,21+,22-,23+,24-,25+,27-,28+,29+,30+/m0/s1
Inchikey
FVWJYYTZTCVBKE-ROUWMTJPSA-N
Kegg id
C08618
Knapsack id
C00003740
Lipid maps id
LMPR0106140005
Mesh descriptor id
C002503
Microsoft academic id (discontinued)
2778509883
Nsc number
4644
Openalex id
C2778509883
Probes and drugs id
PD045918
Pubchem cid
72326
Reaxys registry number
2064515
Römpp online id
RD-02-01154
Splash
splash10-0550-1941300000-106db607fbdb9aa0289e
Surechembl id
131739
Umls cui
C0053529
Unichem compound id
521820
Unii
6W70HN7X7O
Yso id
27676