(2R,3S,5S,8S,9S,10R,13S,14S,17R)-10,13-dimethyl-17-[(2S,3S,5R)-6-methyl-3,5-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,3S,5R)-6-methyl-3,5-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,2S,4R)-2,4-dihydroxy-1,5-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,3S,5R)-3,5-dihydroxy-6-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,3S,5R)-3,5-dihydroxy-6-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,2S,4R)-2,4-dihydroxy-1,5-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:

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

Isomeric SMILES

C[C@@H]([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)[C@H](C[C@H](C(C)C)O)O

InChI

InChI=1S/C27H46O5/c1-14(2)21(28)12-22(29)15(3)17-6-7-18-16-10-23(30)20-11-24(31)25(32)13-27(20,5)19(16)8-9-26(17,18)4/h14-22,24-25,28-29,31-32H,6-13H2,1-5H3/t15-,16-,17+,18-,19-,20+,21+,22-,24-,25+,26+,27+/m0/s1