3-O-Acetyl-β-boswellic acid

Catalog	BBC5968707
CAS	5968-70-7
Structure
Synonyms	O-Acetyl-β-boswellic acid
IUPAC Name	(3R,4R,4aR,6aR,6bS,8aR,11R,12S,12aR,14aR,14bR)-3-acetyloxy-4,6a,6b,8a,11,12,14b-heptamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picene-4-carboxylic acid
Molecular Weight	498.74
Molecular Formula	C32H50O4
Canonical SMILES	C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[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/C32H50O4/c1-19-11-14-28(4)17-18-30(6)22(26(28)20(19)2)9-10-23-29(5)15-13-25(36-21(3)33)32(8,27(34)35)24(29)12-16-31(23,30)7/h9,19-20,23-26H,10-18H2,1-8H3,(H,34,35)/t19-,20+,23-,24-,25-,26+,28-,29-,30-,31-,32-/m1/s1
InChI Key	YJBVHJIKNLBFDX-MQURJEHKSA-N
Boiling Point	567 °C
Melting Point	157-161 °C
Flash Point	171 °C
Purity	98%
Density	1.09 g/ml
Appearance	White to off-white powder
pKa	4.32±0.70