| SpectraBase Spectrum ID |
B2xFomuviq0 |
| Name |
Lupeol |
| CAS Registry Number |
545-47-1 |
| Classification |
Pharmaceutical drug, anti-inflammatory |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
426.386166229 u |
| Formula |
C30H50O |
| InChI |
InChI=1S/C30H50O/c1-19(2)20-11-14-27(5)17-18-29(7)21(25(20)27)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h20-25,31H,1,9-18H2,2-8H3 |
| InChIKey |
MQYXUWHLBZFQQO-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
426.729 g/mol |
| Nominal Mass |
426 u |
| Quality |
889 |
| Retention Index |
3344 |
| SMILES |
OC1C(C2C(C3C(C4(C(C5C(CC4)(CCC5C(=C)C)C)CC3)C)(CC2)C)(CC1)C)(C)C |
| SPLASH |
splash10-0a4r-4920000000-59d1eb28b4bf64601bb9 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Fagarsterol
Lupenol
(3b)Lup-20(29)en-3-ol |
| Technique |
GC/MS |
| Wiley ID |
DD2024_008315 |
