| SpectraBase Spectrum ID |
JIYbhTI9Bp2 |
| Name |
Etiocholanone TMS |
| CAS Registry Number |
4867-14-5 |
| Classification |
Pharmaceutical drug derivative |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
362.264106997 u |
| Formula |
C22H38O2Si |
| InChI |
InChI=1S/C22H38O2Si/c1-21-12-10-16(24-25(3,4)5)14-15(21)6-7-17-18-8-9-20(23)22(18,2)13-11-19(17)21/h15-19H,6-14H2,1-5H3/t15-,16-,17+,18+,19+,21+,22+/m1/s1 |
| InChIKey |
RKALSSDGCWGKHQ-JCNKSZRGSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
362.629 g/mol |
| Nominal Mass |
362 u |
| Quality |
939 |
| Retention Index |
2679 |
| SMILES |
[C@]12([C@@]([C@@]3([C@](CC2)(C[C@@](CC3)(O[Si](C)(C)C)[H])[H])C)(CC[C@]2([C@]1(CCC2=O)[H])C)[H])[H] |
| SPLASH |
splash10-05i3-7950000000-222b9bb1556bd163b555 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
(3aS,3bR,5aS,7R,9aS,9bS,11aS)-9a,11a-dimethyl-7-((trimethylsilyl)oxy)hexadecahydro-1H-\rcyclopenta[a]phenanthren-1-one |
| Technique |
GC/MS |
| Wiley ID |
DD2024_024992 |
