| SpectraBase Spectrum ID |
JHc0Q1cy3Gq |
| Name |
beta-Sitosterol TMS |
| CAS Registry Number |
2625-46-9 |
| Classification |
Phytosterine derivative |
| Comments |
Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
486.425693022 u |
| Formula |
C32H58OSi |
| InChI |
InChI=1S/C32H58OSi/c1-10-24(22(2)3)12-11-23(4)28-15-16-29-27-14-13-25-21-26(33-34(7,8)9)17-19-31(25,5)30(27)18-20-32(28,29)6/h13,22-24,26-30H,10-12,14-21H2,1-9H3/t23?,24?,26-,27-,28+,29-,30-,31-,32+/m0/s1 |
| InChIKey |
XEWVATFZTBNDCF-DIEUKBIASA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
486.900 g/mol |
| Nominal Mass |
486 u |
| Quality |
895 |
| Retention Index |
3571 |
| SMILES |
[C@]12([C@]([C@]3([C@@]([C@@](C(CCC(C(C)C)CC)C)(CC3)[H])(CC1)C)[H])(CC=C1[C@@]2(CC[C@@](C1)(O[Si](C)(C)C)[H])C)[H])[H] |
| SPLASH |
splash10-056s-6924100000-9b6a089404299e26aa2e |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
(((1S,3aR,3bR,7R,9aS,9bR,11aS)-1-((2R)-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-yl)oxy)(trimethyl)silane |
| Technique |
GC/MS |
| Wiley ID |
DD2024_024963 |
