| SpectraBase Spectrum ID |
JGz7mcfMdNo |
| Name |
3-beta-Etiocholanolone AC |
| Classification |
Chemical |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
332.235144887 u |
| Formula |
C21H32O3 |
| InChI |
InChI=1S/C21H32O3/c1-13(22)24-15-8-10-20(2)14(12-15)4-5-16-17-6-7-19(23)21(17,3)11-9-18(16)20/h14-18H,4-12H2,1-3H3/t14-,15+,16+,17+,18+,20+,21+/m1/s1 |
| InChIKey |
FDCINQSOYQUNKB-PQCYQFCNSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
332.484 g/mol |
| Nominal Mass |
332 u |
| Quality |
991 |
| Retention Index |
2505 |
| SMILES |
[C@]12([C@@]([C@@]3([C@](CC2)(C[C@](CC3)(OC(=O)C)[H])[H])C)(CC[C@]2([C@]1(CCC2=O)[H])C)[H])[H] |
| SPLASH |
splash10-052f-8960000000-fd26c466f58d626cf7bb |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
(3aS,3bR,5aR,7S,9aS,9bS,11aS)-9a,11a-dimethyl-1-oxohexadecahydro-1H-cyclopenta[a]phenanthren-7-yl-\racetate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_033108 |
