| SpectraBase Spectrum ID |
DmSGWcrCRYe |
| Name |
5beta-Androstan-3alpha,17beta-diol 2TMS |
| Classification |
Pharmaceutical drug derivative |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| DEA Citation |
21 CFR §1308.13 (f) (3) |
| DEA Controlled Substance Name |
1-androstenediol (3β,17β-dihydroxy-5α-androst-1-ene) |
| 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 |
436.319283854 u |
| Formula |
C25H48O2Si2 |
| InChI |
InChI=1S/C25H48O2Si2/c1-24-15-13-19(26-28(3,4)5)17-18(24)9-10-20-21-11-12-23(27-29(6,7)8)25(21,2)16-14-22(20)24/h18-23H,9-17H2,1-8H3/t18-,19-,20+,21+,22+,23+,24+,25+/m1/s1 |
| InChIKey |
KBSHKNYEUGMMDQ-DMRDWKPJSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
436.827 g/mol |
| Nominal Mass |
436 u |
| Quality |
879 |
| Retention Index |
3315 |
| SMILES |
[C@]12([C@@]([C@@]3([C@](CC2)(C[C@@](CC3)(O[Si](C)(C)C)[H])[H])C)(CC[C@]2([C@]1(CC[C@@]2(O[Si](C)(C)C)[H])[H])C)[H])[H] |
| SPLASH |
splash10-00b9-6952000000-40f844d4e6f7954f4eb5 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
(((1S,3aS,3bR,5aR,7R,9aS,9bS,11aS)-9a,11a-dimethyl-1-((trimethylsilyl)oxy)hexadecahydro-1H-\rcyclopenta[a]phenanthren-7-yl)oxy)(trimethyl)silane |
| Technique |
GC/MS |
| Wiley ID |
DD2024_011568 |
