12-O-Methylcarnosic Acid

CAS	62201-71-2
Synonyms	Carnosic acid 12-methyl ether
IUPAC Name	(4aR,10aS)-5-hydroxy-6-methoxy-1,1-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-4a-carboxylic acid
Molecular Weight	346.47
Molecular Formula	C21H30O4
Canonical SMILES	CC(C)C1=C(C(=C2C(=C1)CC[C@@H]3[C@@]2(CCCC3(C)C)C(=O)O)O)OC
InChI	InChI=1S/C21H30O4/c1-12(2)14-11-13-7-8-15-20(3,4)9-6-10-21(15,19(23)24)16(13)17(22)18(14)25-5/h11-12,15,22H,6-10H2,1-5H3,(H,23,24)/t15-,21+/m0/s1
InChI Key	QQNSARJGBPMQDI-YCRPNKLZSA-N
Purity	98%
Density	1.131±0.06 g/ml
pKa	4.12±0.40