(4R,5R,8S,9S,10R,13R,14S,17R)-3-chloranyl-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-4-phenylsulfanyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene

Systemtic Name: (4R,5R,8S,9S,10R,13R,14S,17R)-3-chloranyl-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-4-phenylsulfanyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene Openeye Name: (4R,5R,8S,9S,10R,13R,14S,17R)-3-chloro-17-[(1R)-1,5-dimethylhexyl]-10,13-dimethyl-4-phenylsulfanyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene CAS Name: (4R,5R,8S,9S,10R,13R,14S,17R)-3-chloro-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-4-(phenylthio)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene IUPAC Name: (4R,5R,8S,9S,10R,13R,14S,17R)-3-chloro-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-4-phenylsulfanyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene Traditional Name: (4R,5R,8S,9S,10R,13R,14S,17R)-3-chloro-17-[(1R)-1,5-dimethylhexyl]-10,13-dimethyl-4-(phenylthio)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene Formula: C33H51ClS MolecularWeight: 515.27604

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCC(C)C1CCC2C1(CCC3C2CCC4C3(CCC(C4SC5=CC=CC=C5)Cl)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[C@@H]4[C@@]3(CCC([C@@H]4SC5=CC=CC=C5)Cl)C)C

InChI

InChI=1S/C33H51ClS/c1-22(2)10-9-11-23(3)26-16-17-27-25-14-15-29-31(35-24-12-7-6-8-13-24)30(34)19-21-33(29,5)28(25)18-20-32(26,27)4/h6-8,12-13,22-23,25-31H,9-11,14-21H2,1-5H3/t23-,25+,26-,27+,28+,29+,30?,31-,32-,33-/m1/s1