| SpectraBase Spectrum ID |
8IvS6cMwpai |
| Name |
Pregnenolone acetate |
| Classification |
Pharmaceutical drug, antirheumatic |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
358.250794952 u |
| Formula |
C23H34O3 |
| InChI |
InChI=1S/C23H34O3/c1-14(24)19-7-8-20-18-6-5-16-13-17(26-15(2)25)9-11-22(16,3)21(18)10-12-23(19,20)4/h5,17-21H,6-13H2,1-4H3/t17-,18+,19-,20+,21+,22+,23-/m1/s1 |
| InChIKey |
CRRKVZVYZQXICQ-QKSXVSAESA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
358.522 g/mol |
| Nominal Mass |
358 u |
| Quality |
933 |
| Retention Index |
2807 |
| SMILES |
[C@]12([C@]([C@]3([C@@]([C@](CC3)(C(=O)C)[H])(CC1)C)[H])(CC=C1[C@@]2(CC[C@](C1)(OC(=O)C)[H])C)[H])[H] |
| SPLASH |
splash10-052b-4950000000-90b9428e10c0e64c141a |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
20-Oxo-S-pregnen-3b-yl acetate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_004529 |
