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, Q17398421, Q901484, Q15539959, Diospyros abyssinica, Diospyros canaliculata, Diospyros chevalieri, Diospyros cinnabarina, Diospyros crassiflora, Diospyros mcphersonii, Diospyros dendo, Diospyros fragrans, Diospyros gabunensis, Diospyros gracilescens, Diospyros hoyleana, Diospyros iturensis, Diospyros kamerunensis, Diospyros longiflora, Diospyros mespiliformis, Diospyros monbuttensis, Q15343088, Diospyros zenkeri, Abies balsamea, Betula papyrifera, Comptonia peregrina, Fraxinus americana, Ilex verticillata, Juniperus communis, Juniperus horizontalis, Q734085, 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, Q2613405, Suaeda maritima, Cichorium intybus, common myrtle, Byrsonima microphylla, Celtis philippinensis, Ceriops tagal, Chaenomeles sinensis, Coussarea paniculata, Dalbergia sericea, Q15340113, Diospyros bipindensis, Diospyros buxifolia, Diospyros ferrea, Diospyros candolleana, Diospyros castanea, Diospyros cauliflora, Q15340976, Diospyros consolatae, Diospyros curranii, Diospyros blancoi, Diospyros blancoi, Diospyros ebenum, Diospyros elliptifolia, Diospyros embryopteris, Diospyros eriantha, Diospyros evena, Diospyros guianensis, Diospyros hirsuta, Diospyros ismailii, Diospyros kaki, Diospyros lotus, Diospyros maingayi, Diospyros mannii, Diospyros maritima, Diospyros montana, Diospyros moonii, Diospyros morrisiana, Diospyros obliquifolia, Diospyros malabarica, Q15342319, Diospyros siamang, Diospyros siderophylla, Q15342278, Diospyros sumatrana, Diospyros sylvatica, Diospyros thwaitesii, Diospyros virginiana, Diospyros walkeri, Diospyros wallichii, Euclea divinorum, Euclea natalensis, 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, Arbutus unedo, Arnebia hispidissima, Artocarpus integer, Betula alnoides, Blau-Birke, Betula cordifolia, Betula davurica, Betula ermanii, Betula lenta, Betula maximowicziana, Betula fruticosa, Betula ovalifolia, Q1373854, Betula populifolia, Betula schmidtii, Bowdichia virgilioides, Bupleurum salicifolium, Q2046782, Bystropogon canariensis, Caraipa densifolia, Senna siamea, Cassinia uncata, Q12246736, Centaurea horrida, Chuquiraga atacamensis, Q727330, Q15589721, Cornus capitata, Crataegus pinnatifida, Croton megalocarpus, Cussonia spicata, Cyclolepis genistoides, Diospyros nigra, Diospyros rhodocalyx, Dracaena cinnabari, Eleocharis dulcis, Euclea crispa, Euphorbia trigona, Euphorbia heteradena, Q15232450, Euphorbia myrsinites, Euphorbia retusa, Garcinia mangostana, Garcinia xanthochymus, Glechoma hirsuta, Grewia bicolor, Hedyotis lawsoniae, Ozothamnus bilobus, Hygrophila auriculata, Hypoestes purpurea, Q15332426, Ilex latifolia, Ilex macropoda, Isodon eriocalyx, Juglans regia, Lavandula spica, Leptospermum scoparium, Lumnitzera racemosa, Maerua oblongifolia, Maytenus boaria, Monteverdia ilicifolia, Melilotus messanensis, Melilotus siculus, Microcybe multiflora, Mitrephora heyneana, Nerium oleander, basil, Origanum compactum, Orthosphenia mexicana, Paliurus hemsleyanus, Phyllanthus flexuosus, Pittosporum pentandrum, Oryza coarctata, Pterodon emarginatus, Pyrus communis, Quercus suber, Q15333117, Rhododendron dauricum, Rhododendron ledebourii, Hippobromus pauciflorus, Rosa taiwanensis, Salacia beddomei, Salacia cordata, Salvia beckeri, Salvia thymoides, Salvia xalapensis, Sarracenia flava, Scaevola floribunda, Symplocos racemosa, Q3695281, Terminalia glabrescens, Trichosanthes cucumeroides, Trichosanthes dioica, Valeriana laxiflora, Vatica cinerea, Vitis vinifera, Woodfordia fruticosa, Zataria multiflora, Ziziphus jujuba, Q4533175, Senegalia modesta, Bacopa monnieri, Camchaya loloana, Dracocephalum forrestii, Dracocephalum peregrinum, Strobilanthes psilostachys, Guazuma ulmifolia, Ozothamnus argophyllus, Talipariti tiliaceum, Lophopetalum javanicum, Luehea candicans, Q2510557, Monteverdia rigida, Q1142869, Nepeta caesarea, Pinus wallichiana, Plumeria obtusa, Poncirus trifoliata, Q54370273, Premna tomentosa, Psorospermum tenuifolium, Oedera calycina, Relhania calycina, Rhus chinensis, Brucea javanica, Salacia chinensis, Sambucus nigra, Solanum aethiopicum, Sorbus decora, Tricholepis glaberrima, Vatica diospyroides, Alnus rubra, Ozothamnus adnatus, Rhododendron sichotense, Ligustrum japonicum, Helichrysum ferrugineum, Helichrysum herbaceum, Anisacanthus quadrifidus, Maytenus canariensis, Q24849722, Strobilanthes pentstemonoides, Torenia anagallis, Hygrophila schulli, Garcinia brasiliensis, Stauntonia yaoshanensis, Bupleurum spinosum, Monteverdia truncata, Bupleurum fruticescens, Diospyros leucomelas, Alnus rugosa, Rosmarinus officinalis, Q5851932, Lavandula latifolia, Ligustrum lucidum, Euphorbia broteri, Diospyros melanoxylon, Salvia officinalis, Strychnos spinosa, Euonymus carnosus, Bruguiera gymnorhiza, Euphorbia oxyphylla, Ziziphus spina-christi, Moquilea pyrifolia, Betula pendula, Q157624, Q90484669, Senegalia mellifera, Grewia damine, Pellia neesiana, Lavandula angustifolia, Q15342224, 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