(2S,3R,5R,9R,10R,13R,14S,17S)-17-[(2R,4R,5R)-2,4-dimethyl-5-(3-methyl-3-oxidanyl-butyl)-2-(2-oxidanylidenepropyl)-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)-2-(2-oxidanylidenepropyl)-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)-17-[(2R,4R,5R)-2-acetonyl-5-(3-hydroxy-3-methyl-butyl)-2,4-dimethyl-1,3-dioxolan-4-yl]-2,3,14-trihydroxy-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-2-(2-oxopropyl)-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-2-(2-oxopropyl)-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)-17-[(2R,4R,5R)-2-acetonyl-5-(3-hydroxy-3-methyl-butyl)-2,4-dimethyl-1,3-dioxolan-4-yl]-2,3,14-trihydroxy-10,13-dimethyl-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one Formula: C32H50O8 MolecularWeight: 562.7346

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)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

CC(=O)C[C@@]1(O[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)C

InChI

InChI=1S/C32H50O8/c1-18(33)16-30(6)39-26(10-11-27(2,3)37)31(7,40-30)25-9-13-32(38)20-14-22(34)21-15-23(35)24(36)17-28(21,4)19(20)8-12-29(25,32)5/h14,19,21,23-26,35-38H,8-13,15-17H2,1-7H3/t19-,21-,23+,24-,25-,26+,28+,29+,30+,31+,32+/m0/s1