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(3S,8S,9S,10R,13S,14S,17S)-17-(4-ethoxy-1,3-thiazol-2-yl)-10,13-dimethyl-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)-17-(4-ethoxy-1,3-thiazol-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
SpectraBase Compound ID DihsBR5iCRe
InChI InChI=1S/C24H35NO2S/c1-4-27-21-14-28-22(25-21)20-8-7-18-17-6-5-15-13-16(26)9-11-23(15,2)19(17)10-12-24(18,20)3/h5,14,16-20,26H,4,6-13H2,1-3H3/t16-,17-,18-,19-,20+,23-,24-/m0/s1
InChIKey VIRRUDKUALKLNI-DPJIWMIASA-N
Mol Weight 401.6 g/mol
Molecular Formula C24H35NO2S
Exact Mass 401.238851 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FMlBSJi8Urj
Name (3S,8S,9S,10R,13S,14S,17S)-17-(4-ethoxy-1,3-thiazol-2-yl)-10,13-dimethyl-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 C24H35NO2S
InChI InChI=1S/C24H35NO2S/c1-4-27-21-14-28-22(25-21)20-8-7-18-17-6-5-15-13-16(26)9-11-23(15,2)19(17)10-12-24(18,20)3/h5,14,16-20,26H,4,6-13H2,1-3H3/t16-,17-,18-,19-,20+,23-,24-/m0/s1
InChIKey VIRRUDKUALKLNI-DPJIWMIASA-N
Molecular Weight 401.609 g/mol
SMILES O[C@]1(CC[C@@]2([C@]3(CC[C@@]4([C@@](c5nc(cs5)OCC)(CC[C@]4([C@@]3(CC=C2C1)[H])[H])[H])C)[H])C)[H]
SPLASH splash10-0a4u-0903100000-288197f572b9836ab115
Source of Spectrum SK-23-839-6
Synonyms (3S,8S,9S,10R,13S,14S,17S)-17-(4-ethoxy-2-thiazolyl)-10,13-dimethyl-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)-17-(4-ethoxythiazol-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
Wiley ID 865569