3-O-acetyl-11-keto-β-boswellic acid

CAS	67416-61-9
Structure
Synonyms	11-Keto-β-boswellic acid acetate
IUPAC Name	(3R,4R,4aR,6aR,6bS,8aR,11R,12S,12aR,14aR,14bS)-3-acetyloxy-4,6a,6b,8a,11,12,14b-heptamethyl-14-oxo-1,2,3,4a,5,6,7,8,9,10,11,12,12a,14a-tetradecahydropicene-4-carboxylic acid
Molecular Weight	512.72
Molecular Formula	C32H48O5
Canonical SMILES	C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC(=O)[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@H]([C@]5(C)C(=O)O)OC(=O)C)C)C)[C@@H]2[C@H]1C)C)C
InChI	InChI=1S/C32H48O5/c1-18-9-12-28(4)15-16-30(6)21(25(28)19(18)2)17-22(34)26-29(5)13-11-24(37-20(3)33)32(8,27(35)36)23(29)10-14-31(26,30)7/h17-19,23-26H,9-16H2,1-8H3,(H,35,36)/t18-,19+,23-,24-,25+,26-,28-,29+,30-,31-,32-/m1/s1
InChI Key	HMMGKOVEOFBCAU-BCDBGHSCSA-N
Boiling Point	600.3±55.0 °C
Melting Point	271 °C
Purity	98%
Density	1.13±0.1 g/ml
pKa	4.28±0.70
Appearance	Powder