(8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-4-(phenylsulfonyl)-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol

Systemtic Name: (8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-4-(phenylsulfonyl)-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol Openeye Name: (8S,9S,10R,13R,14S,17R)-4-(benzenesulfonyl)-17-[(1R)-1,5-dimethylhexyl]-10,13-dimethyl-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol CAS Name: (8S,9S,10R,13R,14S,17R)-4-(benzenesulfonyl)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol IUPAC Name: (8S,9S,10R,13R,14S,17R)-4-(benzenesulfonyl)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol Traditional Name: (8S,9S,10R,13R,14S,17R)-4-besyl-17-[(1R)-1,5-dimethylhexyl]-10,13-dimethyl-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol Formula: C33H48O3S MolecularWeight: 524.79742

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(=C4S(=O)(=O)C5=CC=CC=C5)O)C)C

Isomeric SMILES

C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CCC(=C4S(=O)(=O)C5=CC=CC=C5)O)C)C

InChI

InChI=1S/C33H48O3S/c1-22(2)10-9-11-23(3)26-16-17-27-25-14-15-29-31(37(35,36)24-12-7-6-8-13-24)30(34)19-21-33(29,5)28(25)18-20-32(26,27)4/h6-8,12-13,15,22-23,25-28,34H,9-11,14,16-21H2,1-5H3/t23-,25+,26-,27+,28+,32-,33-/m1/s1