For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
Cholest-5-ene-3,25-diol, 23-(phenylsulfonyl)-, (3.beta.,23R)-
SpectraBase Compound ID IFXQf8YZ3h
InChI InChI=1S/C33H50O4S/c1-22(19-26(21-31(2,3)35)38(36,37)25-9-7-6-8-10-25)28-13-14-29-27-12-11-23-20-24(34)15-17-32(23,4)30(27)16-18-33(28,29)5/h6-11,22,24,26-30,34-35H,12-21H2,1-5H3/t22-,24+,26?,27+,28-,29+,30+,32+,33-/m1/s1
InChIKey XOGLSXHXOMOQOJ-ABWKBVPFSA-N
Mol Weight 542.8 g/mol
Molecular Formula C33H50O4S
Exact Mass 542.342981 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 6PCjroZTAqL
Name Cholest-5-ene-3,25-diol, 23-(phenylsulfonyl)-, (3.beta.,23R)-
CAS Registry Number 83872-60-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C33H50O4S
InChI InChI=1S/C33H50O4S/c1-22(19-26(21-31(2,3)35)38(36,37)25-9-7-6-8-10-25)28-13-14-29-27-12-11-23-20-24(34)15-17-32(23,4)30(27)16-18-33(28,29)5/h6-11,22,24,26-30,34-35H,12-21H2,1-5H3/t22-,24+,26?,27+,28-,29+,30+,32+,33-/m1/s1
InChIKey XOGLSXHXOMOQOJ-ABWKBVPFSA-N
Molecular Weight 542.819 g/mol
SMILES O[C@]1(CC[C@]2(C(=CC[C@]3([C@]4([C@@]([C@@]([C@@](CC(CC(O)(C)C)S(=O)(=O)c5ccccc5)(C)[H])(CC4)[H])(CC[C@]23[H])C)[H])[H])C1)C)[H]
SPLASH splash10-05ai-7093030000-f9f099979fb456e5b59a
Source of Spectrum H-65-1515-0
Synonyms (23RS)-23-phenylsulfonyl-5-cholesten-3.beta.,25-diol (3beta)-23-(phenylsulfonyl)cholest-5-ene-3,25-diol
Wiley ID 1404882