| SpectraBase Spectrum ID |
6A4pw6j0XYE |
| Name |
Androstenediol diacete |
| CAS Registry Number |
116262-99-8 |
| Classification |
Steroid hormone |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| DEA Citation |
21 CFR §1308.13 (f) (6) |
| DEA Controlled Substance Name |
5-androstenediol |
| DEA Controlled Substance Type |
Salts, esters and ethers |
| DEA Controlled Substances Code Number |
4000 |
| DEA Schedule |
Schedule III |
| DEA Section |
Anabolic Steroids. Unless specifically excepted or unless listed in another schedule, any material, compound, mixture or preparation containing any quantity of the following substances, including its salts, esters and ethers. |
| Exact Mass |
374.245709571 u |
| Formula |
C23H34O4 |
| InChI |
InChI=1S/C23H34O4/c1-14(24)26-17-9-11-22(3)16(13-17)5-6-18-19-7-8-21(27-15(2)25)23(19,4)12-10-20(18)22/h5,17-21H,6-13H2,1-4H3/t17?,18-,19-,20-,21-,22-,23-/m0/s1 |
| InChIKey |
QXKRUGDXPWHXHL-VNUFRCGASA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
374.521 g/mol |
| Nominal Mass |
374 u |
| Quality |
997 |
| Retention Index |
2595 |
| SMILES |
[C@@]12([C@]3([C@@]([C@](CC3)(OC(=O)C)[H])(CC[C@@]1([C@@]1(C(=CC2)CC(CC1)OC(=O)C)C)[H])C)[H])[H] |
| SPLASH |
splash10-0006-6911000000-5b34a3fa4b35b2d433f4 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
(1S,3aS,3bR,9aR,9bS,11aS)-1-(acetyloxy)-9a,11a-dimethyl-2,3,3a,3b,4,6,7,8,9,9a,9b,10,11,\r11a-tetradecahydro-1H-cyclopenta[a]phenanthren-7-yl acetate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_022709 |
