(2S,3R,5R,9R,10R,13R,14S,17S)-17-[(2R,4R,5R)-2-(furan-2-yl)-4-methyl-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-(furan-2-yl)-4-methyl-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)-17-[(2R,4R,5R)-2-(2-furyl)-5-(3-hydroxy-3-methyl-butyl)-4-methyl-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)-17-[(2R,4R,5R)-2-(2-furanyl)-5-(3-hydroxy-3-methylbutyl)-4-methyl-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 IUPAC Name: (2S,3R,5R,9R,10R,13R,14S,17S)-17-[(2R,4R,5R)-2-(furan-2-yl)-5-(3-hydroxy-3-methylbutyl)-4-methyl-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 Traditional Name: (2S,3R,5R,9R,10R,13R,14S,17S)-17-[(2R,4R,5R)-2-(2-furyl)-5-(3-hydroxy-3-methyl-butyl)-4-methyl-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: C32H46O8 MolecularWeight: 558.70284

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCC3C(=CC(=O)C4C3(CC(C(C4)O)O)C)C1(CCC2C5(C(OC(O5)C6=CC=CO6)CCC(C)(C)O)C)O

Isomeric SMILES

C[C@]12CC[C@H]3C(=CC(=O)[C@H]4[C@@]3(C[C@@H]([C@@H](C4)O)O)C)[C@@]1(CC[C@@H]2[C@@]5([C@H](O[C@H](O5)C6=CC=CO6)CCC(C)(C)O)C)O

InChI

InChI=1S/C32H46O8/c1-28(2,36)11-10-26-31(5,40-27(39-26)24-7-6-14-38-24)25-9-13-32(37)19-15-21(33)20-16-22(34)23(35)17-29(20,3)18(19)8-12-30(25,32)4/h6-7,14-15,18,20,22-23,25-27,34-37H,8-13,16-17H2,1-5H3/t18-,20-,22+,23-,25-,26+,27+,29+,30+,31+,32+/m0/s1