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

Systemtic Name: (3S,5S,8S,9S,10R,13S,14S,17R)-17-[(1S)-1-[(4R,5R)-2,2-dimethyl-5-[(2R)-3-methylbutan-2-yl]-1,3-dioxolan-4-yl]ethyl]-10,13-dimethyl-3-oxidanyl-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one Openeye Name: (3S,5S,8S,9S,10R,13S,14S,17R)-17-[(1S)-1-[(4R,5R)-5-[(1R)-1,2-dimethylpropyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl]-3-hydroxy-10,13-dimethyl-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one CAS Name: (3S,5S,8S,9S,10R,13S,14S,17R)-17-[(1S)-1-[(4R,5R)-2,2-dimethyl-5-[(2R)-3-methylbutan-2-yl]-1,3-dioxolan-4-yl]ethyl]-3-hydroxy-10,13-dimethyl-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one IUPAC Name: (3S,5S,8S,9S,10R,13S,14S,17R)-17-[(1S)-1-[(4R,5R)-2,2-dimethyl-5-[(2R)-3-methylbutan-2-yl]-1,3-dioxolan-4-yl]ethyl]-3-hydroxy-10,13-dimethyl-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one Traditional Name: (3S,5S,8S,9S,10R,13S,14S,17R)-17-[(1S)-1-[(4R,5R)-5-[(1R)-1,2-dimethylpropyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl]-3-hydroxy-10,13-dimethyl-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one Formula: C31H52O4 MolecularWeight: 488.74218

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)C1C(OC(O1)(C)C)C(C)C2CCC3C2(CCC4C3CC(=O)C5C4(CCC(C5)O)C)C

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(CC[C@@H](C4)O)C)C)[C@@H]5[C@H](OC(O5)(C)C)[C@H](C)C(C)C

InChI

InChI=1S/C31H52O4/c1-17(2)18(3)27-28(35-29(5,6)34-27)19(4)22-9-10-23-21-16-26(33)25-15-20(32)11-13-31(25,8)24(21)12-14-30(22,23)7/h17-25,27-28,32H,9-16H2,1-8H3/t18-,19+,20+,21+,22-,23+,24+,25-,27-,28-,30-,31-/m1/s1