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

View entire compound with spectra: 1 MS (GC)

(5R,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-4-(phenylsulfonyl)-2,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene
SpectraBase Compound ID 8sCAcN4sR02
InChI InChI=1S/C33H50O2S/c1-23(2)11-9-12-24(3)27-18-19-28-26-16-17-30-31(36(34,35)25-13-7-6-8-14-25)15-10-21-32(30,4)29(26)20-22-33(27,28)5/h6-8,13-15,23-24,26-30H,9-12,16-22H2,1-5H3/t24-,26+,27-,28+,29+,30+,32-,33-/m1/s1
InChIKey OZCRPOKVTJNHKZ-FZOXIOENSA-N
Mol Weight 510.8 g/mol
Molecular Formula C33H50O2S
Exact Mass 510.353152 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9SWnOTC4Hii
Name (5R,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-4-(phenylsulfonyl)-2,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene
Alternate Name(s) (5R,8S,9S,10R,13R,14S,17R)-4-(benzenesulfonyl)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene (5R,8S,9S,10R,13R,14S,17R)-4-(benzenesulfonyl)-17-[(1R)-1,5-dimethylhexyl]-10,13-dimethyl-2,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene (5R,8S,9S,10R,13R,14S,17R)-4-besyl-17-[(1R)-1,5-dimethylhexyl]-10,13-dimethyl-2,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene
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Formula C33H50O2S
InChI InChI=1S/C33H50O2S/c1-23(2)11-9-12-24(3)27-18-19-28-26-16-17-30-31(36(34,35)25-13-7-6-8-14-25)15-10-21-32(30,4)29(26)20-22-33(27,28)5/h6-8,13-15,23-24,26-30H,9-12,16-22H2,1-5H3/t24-,26+,27-,28+,29+,30+,32-,33-/m1/s1
InChIKey OZCRPOKVTJNHKZ-FZOXIOENSA-N
Molecular Weight 510.821 g/mol
SMILES C=1(S(=O)(=O)c2ccccc2)[C@]2([C@]([C@]3(CC[C@]4([C@]([C@@]3(CC2)[H])(CC[C@@]4([C@@](CCCC(C)C)(C)[H])[H])[H])C)[H])(C)CCC1)[H]
SPLASH splash10-0bu0-5649250000-a25e2889572d4a12779e
Source of Spectrum KC-0-1590-6
Wiley ID 830934