Description
Lupeolic acid isolated from Boswellia carterii.
Synonyms
3alpha-Hydroxylup-20(29)-en-24-oic acid; 3α-Hydroxy-lup-20(29)-en-24-oic acid
IUPAC Name
(1R,3aR,5aR,5bR,7aR,8R,9R,11aR,11bR,13aR,13bR)-9-hydroxy-3a,5a,5b,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-8-carboxylic acid
Molecular Formula
C30H48O3
Canonical SMILES
CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C(=O)O)O)C)C
InChI
InChI=1S/C30H48O3/c1-18(2)19-10-13-26(3)16-17-28(5)20(24(19)26)8-9-21-27(4)14-12-23(31)30(7,25(32)33)22(27)11-15-29(21,28)6/h19-24,31H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21+,22+,23+,24+,26+,27+,28+,29+,30+/m0/s1
InChIKey
NYJYXELDYSTZFI-XSDHLHMPSA-N