(2R,3S,8S,9S,10R,13S,14S,17R)-10,13-dimethyl-17-[(2S,3R,4R,5S)-5-methyl-3,4-bis(oxidanyl)heptadecan-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,8S,9S,10R,13S,14S,17R)-10,13-dimethyl-17-[(2S,3R,4R,5S)-5-methyl-3,4-bis(oxidanyl)heptadecan-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,8S,9S,10R,13S,14S,17R)-17-[(1S,2R,3R,4S)-2,3-dihydroxy-1,4-dimethyl-hexadecyl]-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)-3,4-dihydroxy-5-methylheptadecan-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)-3,4-dihydroxy-5-methylheptadecan-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)-2,3-dihydroxy-1,4-dimethyl-hexadecyl]-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: C37H66O5 MolecularWeight: 590.91694

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCCCCCCCCC[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)C4[C@@]3(C[C@H]([C@H](C4)O)O)C)C)O)O

InChI

InChI=1S/C37H66O5/c1-6-7-8-9-10-11-12-13-14-15-16-24(2)34(41)35(42)25(3)27-17-18-28-26-21-31(38)30-22-32(39)33(40)23-37(30,5)29(26)19-20-36(27,28)4/h24-30,32-35,39-42H,6-23H2,1-5H3/t24-,25-,26-,27+,28-,29-,30?,32-,33+,34+,35+,36+,37+/m0/s1