12Alpha-Methoxygrandiflorenic Acid

CAS	135383-94-7
Synonyms	12α-Methoxygrandiflorenicacid
IUPAC Name	(1S,4S,5R,9R,12S,13R)-12-methoxy-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadec-10-ene-5-carboxylic acid
Molecular Weight	330.47
Molecular Formula	C21H30O3
Canonical SMILES	C[C@@]12CCC[C@@]([C@H]1CC[C@]34C2=C[C@@H]([C@H](C3)C(=C)C4)OC)(C)C(=O)O
InChI	InChI=1S/C21H30O3/c1-13-11-21-9-6-16-19(2,7-5-8-20(16,3)18(22)23)17(21)10-15(24-4)14(13)12-21/h10,14-16H,1,5-9,11-12H2,2-4H3,(H,22,23)/t14-,15+,16+,19-,20-,21-/m1/s1
InChI Key	OGFJKOZDMWYQDJ-KLSAVCNVSA-N
Boiling Point	473.9±45.0 °C
Purity	98%
Density	1.13±0.1 g/ml
Appearance	Solid