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

View entire compound with spectra: 1 MS (GC)

(3S,8S,9S,10R,13S,14S,17S)-10,13-dimethyl-17-(4-phenyl-1,3-thiazol-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
SpectraBase Compound ID 8RSaVH2LEAa
InChI InChI=1S/C28H35NOS/c1-27-14-12-20(30)16-19(27)8-9-21-22-10-11-24(28(22,2)15-13-23(21)27)26-29-25(17-31-26)18-6-4-3-5-7-18/h3-8,17,20-24,30H,9-16H2,1-2H3/t20-,21-,22-,23-,24+,27-,28-/m0/s1
InChIKey XPIZPHILAMUKQR-XNTSIQLJSA-N
Mol Weight 433.7 g/mol
Molecular Formula C28H35NOS
Exact Mass 433.243936 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Lmn7fRk0EW7
Name (3S,8S,9S,10R,13S,14S,17S)-10,13-dimethyl-17-(4-phenyl-1,3-thiazol-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
Alternate Name(s) (3S,8S,9S,10R,13S,14S,17S)-10,13-dimethyl-17-(4-phenyl-2-thiazolyl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol (3S,8S,9S,10R,13S,14S,17S)-10,13-dimethyl-17-(4-phenylthiazol-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
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Formula C28H35NOS
InChI InChI=1S/C28H35NOS/c1-27-14-12-20(30)16-19(27)8-9-21-22-10-11-24(28(22,2)15-13-23(21)27)26-29-25(17-31-26)18-6-4-3-5-7-18/h3-8,17,20-24,30H,9-16H2,1-2H3/t20-,21-,22-,23-,24+,27-,28-/m0/s1
InChIKey XPIZPHILAMUKQR-XNTSIQLJSA-N
Molecular Weight 433.654 g/mol
SMILES O[C@]1(CC[C@@]2([C@]3(CC[C@@]4([C@@](c5nc(cs5)-c5ccccc5)(CC[C@]4([C@@]3(CC=C2C1)[H])[H])[H])C)[H])C)[H]
SPLASH splash10-004r-0900400000-e4600d851a1606433049
Source of Spectrum SK-23-839-6
Wiley ID 865572