11-Oxo-β-boswellic acid

Catalog	BBC17019920
CAS	17019-92-0
Structure
Synonyms	β-Boswellic acid,11-keto
IUPAC Name	(3R,4R,4aR,6aR,6bS,8aR,11R,12S,12aR,14aR,14bS)-3-hydroxy-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	470.68
Molecular Formula	C30H46O4
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)O)C)C)[C@@H]2[C@H]1C)C)C
InChI	InChI=1S/C30H46O4/c1-17-8-11-26(3)14-15-28(5)19(23(26)18(17)2)16-20(31)24-27(4)12-10-22(32)30(7,25(33)34)21(27)9-13-29(24,28)6/h16-18,21-24,32H,8-15H2,1-7H3,(H,33,34)/t17-,18+,21-,22-,23+,24-,26-,27+,28-,29-,30-/m1/s1
InChI Key	YIMHGPSYDOGBPI-YZCVQEKWSA-N
Boiling Point	591.8±50.0 °C
Melting Point	190-192 °C
Purity	98%
Density	1.14±0.1 g/ml
Appearance	Powder
pKa	4.46±0.70