(1R,2S,3aS,3bR,5aR,7S,9aS,9bS,11aR)-3a-hydroxy-7-[(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-9a,11a-dimethyl-1-(5-oxo-2H-furan-3-yl)-tetradecahydrocyclopenta[a]phenanthren-2-yl acetate
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(1R,2S,3aS,3bR,5aR,7S,9aS,9bS,11aR)-3a-hydroxy-7-[(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-9a,11a-dimethyl-1-(5-oxo-2H-furan-3-yl)-tetradecahydrocyclopenta[a]phenanthren-2-yl acetate
Summary
(1R,2S,3aS,3bR,5aR,7S,9aS,9bS,11aR)-3a-hydroxy-7-[(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-9a,11a-dimethyl-1-(5-oxo-2H-furan-3-yl)-tetradecahydrocyclopenta[a]phenanthren-2-yl acetate is a group of stereoisomers[1].
Key Facts
- (1R,2S,3aS,3bR,5aR,7S,9aS,9bS,11aR)-3a-hydroxy-7-[(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-9a,11a-dimethyl-1-(5-oxo-2H-furan-3-yl)-tetradecahydrocyclopenta[a]phenanthren-2-yl acetate's instance of is recorded as group of stereoisomers[2].
- (1R,2S,3aS,3bR,5aR,7S,9aS,9bS,11aR)-3a-hydroxy-7-[(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-9a,11a-dimethyl-1-(5-oxo-2H-furan-3-yl)-tetradecahydrocyclopenta[a]phenanthren-2-yl acetate's canonical SMILES is recorded as O=C1OCC(=C1)C2C(OC(=O)C)CC3(O)C4CCC5CC(OC6OC(C)C(O)C(OC)C6)CCC5(C)C4CCC23C[3].
- (1R,2S,3aS,3bR,5aR,7S,9aS,9bS,11aR)-3a-hydroxy-7-[(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-9a,11a-dimethyl-1-(5-oxo-2H-furan-3-yl)-tetradecahydrocyclopenta[a]phenanthren-2-yl acetate's InChI is recorded as InChI=1S/C32H48O9/c1-17-29(35)24(37-5)14-27(39-17)41-21-8-10-30(3)20(13-21)6-7-23-22(30)9-11-31(4)28(19-12-26(34)38-16-19)25(40-18(2)33)15-32(23,31)36/h12,17,20-25,27-29,35-36H,6-11,13-16H2,1-5H3/t17?,20-,21+,22+,23-,24?,25+,27?,28+,29?,30+,31-,32+/m1/s1[4].
- (1R,2S,3aS,3bR,5aR,7S,9aS,9bS,11aR)-3a-hydroxy-7-[(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-9a,11a-dimethyl-1-(5-oxo-2H-furan-3-yl)-tetradecahydrocyclopenta[a]phenanthren-2-yl acetate's InChIKey is recorded as JLPDBLFIVFSOCC-UJQZKUKMSA-N[5].
- (1R,2S,3aS,3bR,5aR,7S,9aS,9bS,11aR)-3a-hydroxy-7-[(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-9a,11a-dimethyl-1-(5-oxo-2H-furan-3-yl)-tetradecahydrocyclopenta[a]phenanthren-2-yl acetate's chemical formula is recorded as C₃₂H₄₈O₉[6].
- (1R,2S,3aS,3bR,5aR,7S,9aS,9bS,11aR)-3a-hydroxy-7-[(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-9a,11a-dimethyl-1-(5-oxo-2H-furan-3-yl)-tetradecahydrocyclopenta[a]phenanthren-2-yl acetate's subclass of is recorded as cardanolides[7].
- (1R,2S,3aS,3bR,5aR,7S,9aS,9bS,11aR)-3a-hydroxy-7-[(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-9a,11a-dimethyl-1-(5-oxo-2H-furan-3-yl)-tetradecahydrocyclopenta[a]phenanthren-2-yl acetate's PubChem CID is recorded as 261943[8].
- (1R,2S,3aS,3bR,5aR,7S,9aS,9bS,11aR)-3a-hydroxy-7-[(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-9a,11a-dimethyl-1-(5-oxo-2H-furan-3-yl)-tetradecahydrocyclopenta[a]phenanthren-2-yl acetate's found in taxon is recorded as Plumeria obtusa[9].
- (1R,2S,3aS,3bR,5aR,7S,9aS,9bS,11aR)-3a-hydroxy-7-[(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-9a,11a-dimethyl-1-(5-oxo-2H-furan-3-yl)-tetradecahydrocyclopenta[a]phenanthren-2-yl acetate's isomeric SMILES is recorded as COC1CC(O[C@H]2CC[C@]3(C)[C@H]4CC[C@]5(C)C@@HC@@HC[C@]5(O)[C@@H]4CC[C@@H]3C2)OC(C)C1O[10].
- (1R,2S,3aS,3bR,5aR,7S,9aS,9bS,11aR)-3a-hydroxy-7-[(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-9a,11a-dimethyl-1-(5-oxo-2H-furan-3-yl)-tetradecahydrocyclopenta[a]phenanthren-2-yl acetate's mass is recorded as {'unit': 'http://www.wikidata.org/entity/Q483261', 'amount': '+576.3298331159998'}[11].
- (1R,2S,3aS,3bR,5aR,7S,9aS,9bS,11aR)-3a-hydroxy-7-[(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-9a,11a-dimethyl-1-(5-oxo-2H-furan-3-yl)-tetradecahydrocyclopenta[a]phenanthren-2-yl acetate's UniChem compound ID is recorded as 24197695[12].