| SpectraBase Spectrum ID |
JJ66t2mxPWq |
| Name |
beta-Sitosterol |
| CAS Registry Number |
83-46-5 |
| Classification |
Pharmaceutical drug, anti-hyperlipidemic |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
414.386166229 u |
| Formula |
C29H50O |
| InChI |
InChI=1S/C29H50O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h10,19-21,23-27,30H,7-9,11-18H2,1-6H3/t20?,21?,23-,24-,25+,26-,27-,28-,29+/m0/s1 |
| InChIKey |
KZJWDPNRJALLNS-UWKHYISVSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
414.718 g/mol |
| Nominal Mass |
414 u |
| Quality |
958 |
| Retention Index |
3214 |
| SMILES |
O[C@@]1(CC=2[C@@]([C@@]3([C@]([C@]4([C@@]([C@](CC4)(C(CCC(C(C)C)CC)C)[H])(CC3)C)[H])(CC2)[H])[H])(CC1)C)[H] |
| SPLASH |
splash10-052f-6911100000-c5280d74cb014c5f182a |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
alpha-Dihydrofucosterol
beta-Sitosterin
(1R,3aS,3bS,7S,9aR,9bS,11aR)-1-((2S)-5-ethyl-6-methylheptan-2-yl)-9a,11a-dimethyl-2,3,3a,3b,\r4,6,7,8,9,9a,9b,10,11,11a-tetradecahydro-1H-cyclopenta[a]phenanthren-7-ol |
| Technique |
GC/MS |
| Wiley ID |
DD2024_003902 |
