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3.beta.-[(tert-Butyldimethylsilyl)oxy]-1.beta.-methyl-22-(phenylsulfonyl)-23,24-dinor-5,7-choladien-1.alpha.-ol
SpectraBase Compound ID LG4wrQu6PVK
InChI InChI=1S/C35H54O4SSi/c1-24(23-40(37,38)27-13-11-10-12-14-27)29-17-18-30-28-16-15-25-21-26(39-41(8,9)32(2,3)4)22-34(6,36)35(25,7)31(28)19-20-33(29,30)5/h10-16,24,26,29-31,36H,17-23H2,1-9H3/t24-,26-,29?,30?,31?,33?,34+,35?/m1/s1
InChIKey ALNJWNDPAHXPKB-QUXPBQBUSA-N
Mol Weight 599.0 g/mol
Molecular Formula C35H54O4SSi
Exact Mass 598.351208 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Hgu31II5XeV
Name 3.beta.-[(tert-Butyldimethylsilyl)oxy]-1.beta.-methyl-22-(phenylsulfonyl)-23,24-dinor-5,7-choladien-1.alpha.-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C35H54O4SSi
InChI InChI=1S/C35H54O4SSi/c1-24(23-40(37,38)27-13-11-10-12-14-27)29-17-18-30-28-16-15-25-21-26(39-41(8,9)32(2,3)4)22-34(6,36)35(25,7)31(28)19-20-33(29,30)5/h10-16,24,26,29-31,36H,17-23H2,1-9H3/t24-,26-,29?,30?,31?,33?,34+,35?/m1/s1
InChIKey ALNJWNDPAHXPKB-QUXPBQBUSA-N
Molecular Weight 598.958 g/mol
SMILES O[C@@]1(C2(C3C(C4CCC(C4(CC3)C)[C@@](CS(=O)(=O)c3ccccc3)(C)[H])=CC=C2C[C@](C1)(O[Si](C(C)(C)C)(C)C)[H])C)C
SPLASH splash10-0fk9-9050220000-904acfedfd77aca71e68
Source of Spectrum J-60-1832-12
Synonyms (1S,3R)-17-((S)-2-Benzenesulfonyl-1-methyl-ethyl)-3-(tert-butyl-dimethyl-silanyloxy)-1,10,13-trimethyl-2,3,4,9,10,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-1-ol 1-(benzenesulfonyl)-2-[(1S,2R,3R,5S,11R,15S)-5-[(tert-butyldimethylsilyl)oxy]-2,3,15-trimethyltetracyclo[8.7.0.0(2,7).0(11,15)]heptadeca-7,9-dien-14-yl]propan-2-ol
Wiley ID 1409982