(8R,9S,13S,14S)-13-methyl-3-[[(8R,9S,13S,14S,17S)-13-methyl-3,17-bis(oxidanyl)-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-2-yl]oxy]-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one

Systemtic Name: (8R,9S,13S,14S)-13-methyl-3-[[(8R,9S,13S,14S,17S)-13-methyl-3,17-bis(oxidanyl)-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-2-yl]oxy]-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one Openeye Name: (8R,9S,13S,14S)-3-[[(8R,9S,13S,14S,17S)-3,17-dihydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-2-yl]oxy]-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one CAS Name: (8R,9S,13S,14S)-3-[[(8R,9S,13S,14S,17S)-3,17-dihydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-2-yl]oxy]-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one IUPAC Name: (8R,9S,13S,14S)-3-[[(8R,9S,13S,14S,17S)-3,17-dihydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-2-yl]oxy]-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one Traditional Name: (8R,9S,13S,14S)-3-[[(8R,9S,13S,14S,17S)-3,17-dihydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-2-yl]oxy]-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one Formula: C36H44O4 MolecularWeight: 540.73216

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCC3C(C1CCC2O)CCC4=CC(=C(C=C34)OC5=CC6=C(C=C5)C7CCC8(C(C7CC6)CCC8=O)C)O

Isomeric SMILES

C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=CC(=C(C=C34)OC5=CC6=C(C=C5)[C@H]7CC[C@]8([C@H]([C@@H]7CC6)CCC8=O)C)O

InChI

InChI=1S/C36H44O4/c1-35-15-13-24-23-8-5-22(17-20(23)3-6-26(24)29(35)9-11-33(35)38)40-32-19-28-21(18-31(32)37)4-7-27-25(28)14-16-36(2)30(27)10-12-34(36)39/h5,8,17-19,24-27,29-30,34,37,39H,3-4,6-7,9-16H2,1-2H3/t24-,25+,26-,27-,29+,30+,34+,35+,36+/m1/s1