| SpectraBase Spectrum ID |
JHxy0AH2bVg |
| Name |
3-Hydroxyandrost-4-ene-6,17-dione 2TMS I |
| Classification |
Pharmaceutical drug derivative |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
446.267248279 u |
| Formula |
C25H42O3Si2 |
| InChI |
InChI=1S/C25H42O3Si2/c1-24-13-11-17(27-29(3,4)5)15-21(24)22(26)16-18-19-9-10-23(28-30(6,7)8)25(19,2)14-12-20(18)24/h10,15,17-20H,9,11-14,16H2,1-8H3/t17-,18-,19-,20-,24+,25-/m0/s1 |
| InChIKey |
CFAIAQUZZUSYHW-BPFYWQCXSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
446.778 g/mol |
| Nominal Mass |
446 u |
| Quality |
984 |
| Retention Index |
3350 |
| SMILES |
[C@]12([C@@]([C@@]3(C(C(C2)=O)=C[C@](CC3)(O[Si](C)(C)C)[H])C)(CC[C@]2([C@]1(CC=C2O[Si](C)(C)C)[H])C)[H])[H] |
| SPLASH |
splash10-0002-2110900000-e831a7d85c3a97ead731 |
| Sample Comments |
TMS position uncertain |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
(3aS,3bR,7S,9aR,9bS,11aS)-9a,11a-dimethyl-1,7-bis((trimethylsilyl)oxy)-3,3a,3b,4,7,8,9,9a,9b,\r10,11,11a-dodecahydro-5H-cyclopenta[a]phenanthren-5-one |
| Technique |
GC/MS |
| Wiley ID |
DD2024_014450 |
