| SpectraBase Spectrum ID |
Dn40Hs6C7UW |
| Name |
Cholest-5-en-3-ol (3-beta) propanoate |
| CAS Registry Number |
633-31-8 |
| Classification |
Chemical |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
442.381080848 u |
| Formula |
C30H50O2 |
| InChI |
InChI=1S/C30H50O2/c1-7-28(31)32-23-15-17-29(5)22(19-23)11-12-24-26-14-13-25(21(4)10-8-9-20(2)3)30(26,6)18-16-27(24)29/h11,20-21,23-27H,7-10,12-19H2,1-6H3/t21?,23-,24-,25+,26-,27?,29-,30+/m0/s1 |
| InChIKey |
CCORPVHYPHHRKB-LUMYGBJKSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
442.728 g/mol |
| Nominal Mass |
442 u |
| Quality |
997 |
| Retention Index |
3297 |
| SMILES |
[C@]12([C@]3(C([C@@]4(C(=CC3)C[C@](CC4)(OC(CC)=O)[H])C)CC[C@@]2([C@](CC1)(C(CCCC(C)C)C)[H])C)[H])[H] |
| SPLASH |
splash10-014j-5933000000-5e33538df10f9afa651f |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
(1R,3aS,3bS,7S,9aR,11aR)-9a,11a-dimethyl-1-((2S)-6-methylheptan-2-yl)-2,3,3a,3b,4,6,7,8,9,\r9a,9b,10,11,11a-tetradecahydro-1H-cyclopenta[a]phenanthren-7-yl propanoate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_033478 |
