Lupeol

enlarge

Systematic / IUPAC Name: (1R,3aR,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-3a,5a,5b,8,8,11a-Hexamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-ol

ID: Reference7657

Other Names: β-Viscol;
(3β)-Lup-20(29)-en-3-ol;
Clerodol;
Fagarasterol;
Fagarsterol ; more

Formula: C30H50O

Spectral Data

Lupeol mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

View Mass Spectra

Available MS Data

Used Instruments Orbitrap Fusion Lumos with ETD LBP FAIMS
No. of Spectral Trees 1
No. of Spectra 162
Tandem Spectra MS1, MS2
Ionization Methods NSI
Analyzers FT
Last Modification 3/28/2018 11:43:17 AM
View Mass Spec Data > >

Identificators

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/t20-,21+,22-,23+,24-,25+,27+,28-,29+,30+/m0/s1
InChI Key MQYXUWHLBZFQQO-QGTGJCAVSA-N
Canonical SMILES CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)O)C)C
CAS 545471
Splash
Other Names β-Viscol;
(3β)-Lup-20(29)-en-3-ol;
Clerodol;
Fagarasterol;
Fagarsterol;
Farganasterol;
Lup-20(29)-en-3b-ol;
Lup-20(29)-en-3-ol, (3β)-;
Lupenol;
Monogynol B

In Other Databases

ChEBI CHEBI:6570
KEGG C08628
ChemSpider 228079
ChEMBL CHEMBL289191
PubChem 259846
Wikipedia Lupeol