SpectraBase Spectrum ID |
Lv48LRNclXf |
Name |
Cholestan-2-ol, 3,3-dimethoxy-, (2.alpha.,5.alpha.)- |
CAS Registry Number |
130530-49-3 |
Comments |
Less than 3 mono-isotopic peaks |
Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula |
C29H52O3 |
InChI |
InChI=1S/C29H52O3/c1-19(2)9-8-10-20(3)23-13-14-24-22-12-11-21-17-29(31-6,32-7)26(30)18-28(21,5)25(22)15-16-27(23,24)4/h19-26,30H,8-18H2,1-7H3/t20-,21+,22+,23-,24+,25+,26-,27-,28+/m1/s1 |
InChIKey |
JLFRIFMYCAZFKI-JPOBPWGRSA-N |
Molecular Weight |
448.732 g/mol |
SMILES |
O[C@@]1(C[C@@]2([C@@]3([C@@]([C@@]4(CC[C@@]([C@]4(CC3)C)([C@@](CCCC(C)C)(C)[H])[H])[H])([H])CC[C@]2(CC1(OC)OC)[H])[H])C)[H] |
SPLASH |
splash10-004i-0900300000-a7f90bb89b6000d2be65 |
Source of Spectrum |
KC-1990-1243-11 |
Synonyms |
(2alpha,5alpha)-3,3-dimethoxycholestan-2-ol
3,3-Dimethoxy-5.alpha.-cholestan-2.alpha.-ol |
Wiley ID |
1387349 |