(2S,3R,5R,9R,14S,17S)-10,13-dimethyl-2,3,14-tris(oxidanyl)-17-[(4R,5R)-2,2,4-trimethyl-5-(3-methyl-3-oxidanyl-butyl)-1,3-dioxolan-4-yl]-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one

Systemtic Name: (2S,3R,5R,9R,14S,17S)-10,13-dimethyl-2,3,14-tris(oxidanyl)-17-[(4R,5R)-2,2,4-trimethyl-5-(3-methyl-3-oxidanyl-butyl)-1,3-dioxolan-4-yl]-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one Openeye Name: (2S,3R,5R,9R,14S,17S)-2,3,14-trihydroxy-17-[(4R,5R)-5-(3-hydroxy-3-methyl-butyl)-2,2,4-trimethyl-1,3-dioxolan-4-yl]-10,13-dimethyl-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one CAS Name: (2S,3R,5R,9R,14S,17S)-2,3,14-trihydroxy-17-[(4R,5R)-5-(3-hydroxy-3-methylbutyl)-2,2,4-trimethyl-1,3-dioxolan-4-yl]-10,13-dimethyl-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one IUPAC Name: (2S,3R,5R,9R,14S,17S)-2,3,14-trihydroxy-17-[(4R,5R)-5-(3-hydroxy-3-methylbutyl)-2,2,4-trimethyl-1,3-dioxolan-4-yl]-10,13-dimethyl-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one Traditional Name: (2S,3R,5R,9R,14S,17S)-2,3,14-trihydroxy-17-[(4R,5R)-5-(3-hydroxy-3-methyl-butyl)-2,2,4-trimethyl-1,3-dioxolan-4-yl]-10,13-dimethyl-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one Formula: C30H48O7 MolecularWeight: 520.69792

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OC(C(O1)(C)C2CCC3(C2(CCC4C3=CC(=O)C5C4(CC(C(C5)O)O)C)C)O)CCC(C)(C)O)C

Isomeric SMILES

C[C@]1([C@H](OC(O1)(C)C)CCC(C)(C)O)[C@H]2CC[C@@]3(C2(CC[C@H]4C3=CC(=O)[C@H]5C4(C[C@@H]([C@@H](C5)O)O)C)C)O

InChI

InChI=1S/C30H48O7/c1-25(2,34)11-10-24-29(7,37-26(3,4)36-24)23-9-13-30(35)18-14-20(31)19-15-21(32)22(33)16-27(19,5)17(18)8-12-28(23,30)6/h14,17,19,21-24,32-35H,8-13,15-16H2,1-7H3/t17-,19-,21+,22-,23-,24+,27?,28?,29+,30+/m0/s1