| SpectraBase Spectrum ID |
JGWVlCW1vpA |
| Name |
beta-Sitosterol-A (-H2O) |
| Classification |
Pharmaceutical drug artifact |
| Comments |
Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
396.375601546 u |
| Formula |
C29H48 |
| InChI |
InChI=1S/C29H48/c1-7-22(20(2)3)12-11-21(4)25-15-16-26-24-14-13-23-10-8-9-18-28(23,5)27(24)17-19-29(25,26)6/h8,10,13,20-22,24-27H,7,9,11-12,14-19H2,1-6H3/t21?,22?,24-,25+,26-,27-,28-,29+/m0/s1 |
| InChIKey |
ICCTZARHLGPHMT-XXISNLHBSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
396.703 g/mol |
| Nominal Mass |
396 u |
| Quality |
993 |
| Retention Index |
3093 |
| SMILES |
[C@]12([C@]3([C@@]([C@@]4(C(=CC3)C=CCC4)C)(CC[C@@]2([C@](CC1)(C(CCC(C(C)C)CC)C)[H])C)[H])[H])[H] |
| SPLASH |
splash10-0002-6934000000-6d7ec31a24e8a073fe09 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Clionasterol-A (-H2O)
beta-Sitosterin-A (-H2O)
(1R,3aS,3bS,9aR,9bS,11aR)-1-((2S)-5-ethyl-6-methylheptan-2-yl)-9a,11a-dimethyl-2,3,3a,3b,4,\r8,9,9a,9b,10,11,11a-dodecahydro-1H-cyclopenta[a]phenanthrene |
| Technique |
GC/MS |
| Wiley ID |
DD2024_033236 |
