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(3S,8S,9S,10R,13S,14S,17S)-10,13-dimethyl-17-(5-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-(5-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 5dV3dxLQTb1
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)26-29-17-25(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 UCCGKEZXKDUNMN-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 4oMF5gic6GQ
Name (3S,8S,9S,10R,13S,14S,17S)-10,13-dimethyl-17-(5-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
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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)26-29-17-25(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 UCCGKEZXKDUNMN-XNTSIQLJSA-N
Molecular Weight 433.654 g/mol
SMILES O[C@]1(CC[C@@]2([C@]3(CC[C@]4([C@]([C@@]3(CC=C2C1)[H])(CC[C@@]4(c1sc(-c2ccccc2)cn1)[H])[H])C)[H])C)[H]
SPLASH splash10-00pr-0900600000-9c16590561d98a2e736f
Source of Spectrum SK-23-839-10
Synonyms (3S,8S,9S,10R,13S,14S,17S)-10,13-dimethyl-17-(5-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-(5-phenylthiazol-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
Wiley ID 865567