(13S,14S)-13-methyl-4-[(13S,14S)-13-methyl-3-oxidanyl-11,12,14,15,16,17-hexahydrocyclopenta[a]phenanthren-4-yl]-11,12,14,15,16,17-hexahydrocyclopenta[a]phenanthren-3-ol

Systemtic Name: (13S,14S)-13-methyl-4-[(13S,14S)-13-methyl-3-oxidanyl-11,12,14,15,16,17-hexahydrocyclopenta[a]phenanthren-4-yl]-11,12,14,15,16,17-hexahydrocyclopenta[a]phenanthren-3-ol Openeye Name: (13S,14S)-4-[(13S,14S)-3-hydroxy-13-methyl-11,12,14,15,16,17-hexahydrocyclopenta[a]phenanthren-4-yl]-13-methyl-11,12,14,15,16,17-hexahydrocyclopenta[a]phenanthren-3-ol CAS Name: (13S,14S)-4-[(13S,14S)-3-hydroxy-13-methyl-11,12,14,15,16,17-hexahydrocyclopenta[a]phenanthren-4-yl]-13-methyl-11,12,14,15,16,17-hexahydrocyclopenta[a]phenanthren-3-ol IUPAC Name: (13S,14S)-4-[(13S,14S)-3-hydroxy-13-methyl-11,12,14,15,16,17-hexahydrocyclopenta[a]phenanthren-4-yl]-13-methyl-11,12,14,15,16,17-hexahydrocyclopenta[a]phenanthren-3-ol Traditional Name: (13S,14S)-4-[(13S,14S)-3-hydroxy-13-methyl-11,12,14,15,16,17-hexahydrocyclopenta[a]phenanthren-4-yl]-13-methyl-11,12,14,15,16,17-hexahydrocyclopenta[a]phenanthren-3-ol Formula: C36H38O2 MolecularWeight: 502.68572

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCCC1C3=C(CC2)C4=C(C=C3)C(=C(C=C4)O)C5=C(C=CC6=C5C=CC7=C6CCC8(C7CCC8)C)O

Isomeric SMILES

C[C@@]12CCC[C@@H]1C3=C(CC2)C4=C(C=C3)C(=C(C=C4)O)C5=C(C=CC6=C5C=CC7=C6CC[C@]8([C@@H]7CCC8)C)O

InChI

InChI=1S/C36H38O2/c1-35-17-3-5-29(35)25-7-9-27-21(23(25)15-19-35)11-13-31(37)33(27)34-28-10-8-26-24(22(28)12-14-32(34)38)16-20-36(2)18-4-6-30(26)36/h7-14,29-30,37-38H,3-6,15-20H2,1-2H3/t29-,30-,35+,36+/m1/s1