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

*Links on SpectraBase are not permalinks.
(3.beta.,20E,23Z)-3-Methoxy-24-(phenylthio)cholesta-5,20(22),23-trien-25-ol
SpectraBase Compound ID 5FRKf48mFRn
InChI InChI=1S/C34H48O2S/c1-23(12-17-31(32(2,3)35)37-26-10-8-7-9-11-26)28-15-16-29-27-14-13-24-22-25(36-6)18-20-33(24,4)30(27)19-21-34(28,29)5/h7-13,17,25,27-30,35H,14-16,18-22H2,1-6H3/b23-12+,31-17-/t25-,27-,28+,29-,30-,33-,34+/m0/s1
InChIKey HCKHKFNFCDXAHZ-WMVFAIKLSA-N
Mol Weight 520.8 g/mol
Molecular Formula C34H48O2S
Exact Mass 520.337502 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 9jCCr4potpF
Name (3.beta.,20E,23Z)-3-Methoxy-24-(phenylthio)cholesta-5,20(22),23-trien-25-ol
CAS Registry Number 84051-56-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C34H48O2S
InChI InChI=1S/C34H48O2S/c1-23(12-17-31(32(2,3)35)37-26-10-8-7-9-11-26)28-15-16-29-27-14-13-24-22-25(36-6)18-20-33(24,4)30(27)19-21-34(28,29)5/h7-13,17,25,27-30,35H,14-16,18-22H2,1-6H3/b23-12+,31-17-/t25-,27-,28+,29-,30-,33-,34+/m0/s1
InChIKey HCKHKFNFCDXAHZ-WMVFAIKLSA-N
Molecular Weight 520.816 g/mol
SMILES OC(\C(=C\C=C\([C@@]1([C@@]2([C@]([C@@]3(CC=C4[C@@]([C@]3(CC2)[H])(CC[C@](OC)(C4)[H])C)[H])(CC1)[H])C)[H])C)Sc1ccccc1)(C)C
SPLASH splash10-0udj-0910070000-723d1fef325b9c751696
Source of Spectrum J-49-1089-0
Synonyms (3beta,20E,23Z)-3-methoxy-24-(phenylsulfanyl)cholesta-5,20(22),23-trien-25-ol
Wiley ID 1402055