Garcinoic Acid

Name: Garcinoic Acid
CAS#: 91893-83-3
Chemical Formula: C27H38O4
Exact Mass: 426.277
Molecular Weight: 426.597
Elemental Analysis: C, 76.02; H, 8.98; O, 15.00

Description: Garcinoic Acid is a natural and selective agonist of pregnane X receptor.

IUPAC/Chemical Name: (2E,6E,10E)-13-[(2S)-6-Hydroxy-2,8-dimethyl-3,4-dihydrochromen-2-yl]-2,6,10-trimethyltrideca-2,6,10-trienoic acid

InChi Key: QOFWRHWADNWKSU-XRBHEKJPSA-N

InChi Code: InChI=1S/C27H38O4/c1-19(11-7-13-21(3)26(29)30)9-6-10-20(2)12-8-15-27(5)16-14-23-18-24(28)17-22(4)25(23)31-27/h9,12-13,17-18,28H,6-8,10-11,14-16H2,1-5H3,(H,29,30)/b19-9+,20-12+,21-13+/t27-/m0/s1

SMILES Code: O=C(O)/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC[C@@]1(C)CCC2=C(O1)C(C)=CC(O)=C2

Appearance: Solid powder