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

View entire compound with spectra: 1 NMR, and 1 MS (GC)

(5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-3-(phenylthio)-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene
SpectraBase Compound ID BDTyl2UWxlf
InChI InChI=1S/C33H50S/c1-23(2)10-9-11-24(3)29-16-17-30-28-15-14-25-22-27(34-26-12-7-6-8-13-26)18-20-32(25,4)31(28)19-21-33(29,30)5/h6-8,12-13,18,23-25,28-31H,9-11,14-17,19-22H2,1-5H3/t24-,25+,28+,29-,30+,31+,32+,33-/m1/s1
InChIKey PIOMMUUSXHBMCC-CJXAJDEGSA-N
Mol Weight 478.8 g/mol
Molecular Formula C33H50S
Exact Mass 478.363323 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID L0q9XlC1gli
Name (5S,8R,9S,10S,13R,14S,17R)-10,13-Dimethyl-17-[(2R)-6-methylheptan-2-yl]-3-(phenylthio)-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[A]phenanthrene
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 478.363322784 u
Formula C33H50S
InChI InChI=1S/C33H50S/c1-23(2)10-9-11-24(3)29-16-17-30-28-15-14-25-22-27(34-26-12-7-6-8-13-26)18-20-32(25,4)31(28)19-21-33(29,30)5/h6-8,12-13,18,23-25,28-31H,9-11,14-17,19-22H2,1-5H3/t24-,25+,28+,29-,30+,31+,32+,33-/m1/s1
InChIKey PIOMMUUSXHBMCC-CJXAJDEGSA-N
Molecular Weight 478.823 g/mol
SMILES [C@@]12([C@]([C@@]3(CC[C@@]4([C@@]([C@]3(CC2)[H])(CC=C(SC=2C=CC=CC2)C4)C)[H])[H])(CC[C@@]1([C@@](CCCC(C)C)(C)[H])[H])[H])C