(2R,3S,5S,8S,9S,10R,13S,14S,17R)-10,13-dimethyl-17-[(2S,3R,4R,5S)-5-methyl-3,4-bis(oxidanyl)heptan-2-yl]-2,3-bis(oxidanyl)-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one

Systemtic Name: (2R,3S,5S,8S,9S,10R,13S,14S,17R)-10,13-dimethyl-17-[(2S,3R,4R,5S)-5-methyl-3,4-bis(oxidanyl)heptan-2-yl]-2,3-bis(oxidanyl)-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one Openeye Name: (2R,3S,5S,8S,9S,10R,13S,14S,17R)-17-[(1S,2R,3R,4S)-2,3-dihydroxy-1,4-dimethyl-hexyl]-2,3-dihydroxy-10,13-dimethyl-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one CAS Name: (2R,3S,5S,8S,9S,10R,13S,14S,17R)-17-[(2S,3R,4R,5S)-3,4-dihydroxy-5-methylheptan-2-yl]-2,3-dihydroxy-10,13-dimethyl-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one IUPAC Name: (2R,3S,5S,8S,9S,10R,13S,14S,17R)-17-[(2S,3R,4R,5S)-3,4-dihydroxy-5-methylheptan-2-yl]-2,3-dihydroxy-10,13-dimethyl-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one Traditional Name: (2R,3S,5S,8S,9S,10R,13S,14S,17R)-17-[(1S,2R,3R,4S)-2,3-dihydroxy-1,4-dimethyl-hexyl]-2,3-dihydroxy-10,13-dimethyl-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one Formula: C27H46O5 MolecularWeight: 450.65114

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(C(C)C1CCC2C1(CCC3C2CC(=O)C4C3(CC(C(C4)O)O)C)C)O)O

Isomeric SMILES

CC[C@H](C)[C@H]([C@@H]([C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC(=O)[C@@H]4[C@@]3(C[C@H]([C@H](C4)O)O)C)C)O)O

InChI

InChI=1S/C27H46O5/c1-6-14(2)24(31)25(32)15(3)17-7-8-18-16-11-21(28)20-12-22(29)23(30)13-27(20,5)19(16)9-10-26(17,18)4/h14-20,22-25,29-32H,6-13H2,1-5H3/t14-,15-,16-,17+,18-,19-,20+,22-,23+,24+,25+,26+,27+/m0/s1