(2R,3S,8S,9S,10R,13S,14S,17R)-17-[(2S,3R,4R,5S)-5-cyclohexyl-3,4-bis(oxidanyl)hexan-2-yl]-10,13-dimethyl-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,8S,9S,10R,13S,14S,17R)-17-[(2S,3R,4R,5S)-5-cyclohexyl-3,4-bis(oxidanyl)hexan-2-yl]-10,13-dimethyl-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,8S,9S,10R,13S,14S,17R)-17-[(1S,2R,3R,4S)-4-cyclohexyl-2,3-dihydroxy-1-methyl-pentyl]-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,8S,9S,10R,13S,14S,17R)-17-[(2S,3R,4R,5S)-5-cyclohexyl-3,4-dihydroxyhexan-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,8S,9S,10R,13S,14S,17R)-17-[(2S,3R,4R,5S)-5-cyclohexyl-3,4-dihydroxyhexan-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,8S,9S,10R,13S,14S,17R)-17-[(1S,2R,3R,4S)-4-cyclohexyl-2,3-dihydroxy-1-methyl-pentyl]-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: C31H52O5 MolecularWeight: 504.74158

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1CCCCC1)C(C(C(C)C2CCC3C2(CCC4C3CC(=O)C5C4(CC(C(C5)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)C4[C@@]3(C[C@H]([C@H](C4)O)O)C)C)[C@H]([C@@H]([C@@H](C)C5CCCCC5)O)O

InChI

InChI=1S/C31H52O5/c1-17(19-8-6-5-7-9-19)28(35)29(36)18(2)21-10-11-22-20-14-25(32)24-15-26(33)27(34)16-31(24,4)23(20)12-13-30(21,22)3/h17-24,26-29,33-36H,5-16H2,1-4H3/t17-,18-,20-,21+,22-,23-,24?,26-,27+,28+,29+,30+,31+/m0/s1