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 |