| SpectraBase Spectrum ID |
2lBMZ6ZDdlw |
| Name |
Lupenone |
| CAS Registry Number |
1617-70-5 |
| Classification |
Pharmaceutical drug, anti-inflammatory,anti-tussive |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
424.370516165 u |
| Formula |
C30H48O |
| InChI |
InChI=1S/C30H48O/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/h20-23,25H,1,9-18H2,2-8H3 |
| InChIKey |
GRBHNQFQFHLCHO-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
424.713 g/mol |
| Nominal Mass |
424 u |
| Quality |
931 |
| Retention Index |
3321 |
| SMILES |
C12(C3(C(C4C(CC3)(CCC4C(=C)C)C)CCC2C2(C(C(C(CC2)=O)(C)C)CC1)C)C)C |
| SPLASH |
splash10-0a4i-4930000000-f8e59908e8304e782105 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Lup-20(30)en-3-one |
| Technique |
GC/MS |
| Wiley ID |
DD2024_008317 |
