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(3S,8S,9S,10R,13S,14S,17S)-17-(4-methoxy-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-methoxy-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 3uYq8qzg1pM
InChI InChI=1S/C23H33NO2S/c1-22-10-8-15(25)12-14(22)4-5-16-17-6-7-19(21-24-20(26-3)13-27-21)23(17,2)11-9-18(16)22/h4,13,15-19,25H,5-12H2,1-3H3/t15-,16-,17-,18-,19+,22-,23-/m0/s1
InChIKey VNPGNQXUSSKBCO-FJHVXNPXSA-N
Mol Weight 387.6 g/mol
Molecular Formula C23H33NO2S
Exact Mass 387.2232 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6CMWLoAL9xg
Name (3S,8S,9S,10R,13S,14S,17S)-17-(4-methoxy-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 C23H33NO2S
InChI InChI=1S/C23H33NO2S/c1-22-10-8-15(25)12-14(22)4-5-16-17-6-7-19(21-24-20(26-3)13-27-21)23(17,2)11-9-18(16)22/h4,13,15-19,25H,5-12H2,1-3H3/t15-,16-,17-,18-,19+,22-,23-/m0/s1
InChIKey VNPGNQXUSSKBCO-FJHVXNPXSA-N
Molecular Weight 387.582 g/mol
SMILES O[C@]1(CC[C@@]2([C@]3(CC[C@@]4([C@@](c5nc(cs5)OC)(CC[C@]4([C@@]3(CC=C2C1)[H])[H])[H])C)[H])C)[H]
SPLASH splash10-0096-0907000000-3ee6f876bf9546923581
Source of Spectrum SK-23-839-6
Synonyms (3S,8S,9S,10R,13S,14S,17S)-17-(4-methoxy-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-methoxythiazol-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 865570