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

Systemtic Name: (2S,3R,5R,9R,10R,13R,14S,17S)-17-[(2R,4R,5R)-2,4-dimethyl-5-(3-methyl-3-oxidanyl-butyl)-1,3-dioxolan-4-yl]-10,13-dimethyl-2,3,14-tris(oxidanyl)-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one Openeye Name: (2S,3R,5R,9R,10R,13R,14S,17S)-2,3,14-trihydroxy-17-[(2R,4R,5R)-5-(3-hydroxy-3-methyl-butyl)-2,4-dimethyl-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,10R,13R,14S,17S)-2,3,14-trihydroxy-17-[(2R,4R,5R)-5-(3-hydroxy-3-methylbutyl)-2,4-dimethyl-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,10R,13R,14S,17S)-2,3,14-trihydroxy-17-[(2R,4R,5R)-5-(3-hydroxy-3-methylbutyl)-2,4-dimethyl-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,10R,13R,14S,17S)-2,3,14-trihydroxy-17-[(2R,4R,5R)-5-(3-hydroxy-3-methyl-butyl)-2,4-dimethyl-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: C29H46O7 MolecularWeight: 506.67134

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Descriptors Computed from Structure

Canonical SMILES:

CC1OC(C(O1)(C)C2CCC3(C2(CCC4C3=CC(=O)C5C4(CC(C(C5)O)O)C)C)O)CCC(C)(C)O

Isomeric SMILES

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

InChI

InChI=1S/C29H46O7/c1-16-35-24(9-10-25(2,3)33)28(6,36-16)23-8-12-29(34)18-13-20(30)19-14-21(31)22(32)15-26(19,4)17(18)7-11-27(23,29)5/h13,16-17,19,21-24,31-34H,7-12,14-15H2,1-6H3/t16-,17+,19+,21-,22+,23+,24-,26-,27-,28-,29-/m1/s1