| SpectraBase Spectrum ID |
5YpHmF6piC0 |
| Name |
(3beta)-3-(Acetyloxy)cholest-5-en-7-one |
| CAS Registry Number |
809-51-8 |
| Classification |
Chemical |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
442.344695338 u |
| Formula |
C29H46O3 |
| InChI |
InChI=1S/C29H46O3/c1-18(2)8-7-9-19(3)23-10-11-24-27-25(13-15-29(23,24)6)28(5)14-12-22(32-20(4)30)16-21(28)17-26(27)31/h17-19,22-25,27H,7-16H2,1-6H3/t19?,22-,23?,24?,25?,27?,28?,29?/m0/s1 |
| InChIKey |
PMBSWZWCNKVWLV-CTKOASHDSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
442.684 g/mol |
| Nominal Mass |
442 u |
| Quality |
997 |
| Retention Index |
3294 |
| SMILES |
C12(C(C3C(C4(C(=CC3=O)C[C@](CC4)(OC(=O)C)[H])C)CC2)CCC1C(CCCC(C)C)C)C |
| SPLASH |
splash10-0089-2923000000-e77b3b1183d90db890c1 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
(7S)-9a,11a-dimethyl-1-(6-methylheptan-2-yl)-4-oxo-2,3,3a,3b,4,6,7,8,9,9a,9b,10,11,11a-\rtetradecahydro-1H-cyclopenta[a]phenanthren-7-yl acetate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_005268 |
