SpectraBase Spectrum ID |
8G5RlyjJrLU |
Name |
2-(Cholest-5-en-3-yloxy)ethanol |
Classification |
Chemical |
Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
Exact Mass |
430.381080848 u |
Formula |
C29H50O2 |
InChI |
InChI=1S/C29H50O2/c1-20(2)7-6-8-21(3)25-11-12-26-24-10-9-22-19-23(31-18-17-30)13-15-28(22,4)27(24)14-16-29(25,26)5/h10,20-23,25-27,30H,6-9,11-19H2,1-5H3/t21?,22?,23-,25+,26-,27?,28-,29+/m0/s1 |
InChIKey |
AVSKHYWSGPTYTL-YXRMEAJISA-N |
Ionization Type |
Electron Ionization (EI) |
Molecular Weight |
430.717 g/mol |
Nominal Mass |
430 u |
Quality |
997 |
Retention Index |
3209 |
SMILES |
OCCO[C@@]1(CC2[C@@](C3C([C@]4([C@@]([C@](CC4)(C(CCCC(C)C)C)[H])(CC3)C)[H])=CC2)(CC1)C)[H] |
SPLASH |
splash10-014j-5923000000-1f016917f8c1073531b9 |
Source of Spectrum |
DigiLab GmbH (C) 2024 |
Synonyms |
2-(((1R,3aR,7S,9aS,11aR)-9a,11a-dimethyl-1-((2S)-6-methylheptan-2-yl)-2,3,3a,5,5a,6,7,8,9,9a,9b,\r10,11,11a-tetradecahydro-1H-cyclopenta[a]phenanthren-7-yl)oxy)ethan-1-ol |
Technique |
GC/MS |
Wiley ID |
DD2024_033530 |