Verbenacine

Catalog	BBC717901036
CAS	717901-03-6
Synonyms	Kaur-15-en-18-oic acid, 3-hydroxy-, (3α,4α)- (9CI)
IUPAC Name	(1S,4S,5S,6R,9S,10S,13R)-6-hydroxy-5,9,14-trimethyltetracyclo[11.2.1.01,10.04,9]hexadec-14-ene-5-carboxylic acid
Molecular Weight	318.45
Molecular Formula	C20H30O3
Canonical SMILES	CC1=CC23CCC4C(C2CCC1C3)(CCC(C4(C)C(=O)O)O)C
InChI	InChI=1S/C20H30O3/c1-12-10-20-9-6-14-18(2,15(20)5-4-13(12)11-20)8-7-16(21)19(14,3)17(22)23/h10,13-16,21H,4-9,11H2,1-3H3,(H,22,23)/t13-,14+,15+,16-,18-,19+,20-/m1/s1
InChI Key	FOGNCTDMGISOGO-AZFOIECZSA-N
Boiling Point	466.7±45.0 °C
Melting Point	229-230 °C
Purity	98%
Density	1.17±0.1 g/ml
Appearance	Solid
pKa	4.50±0.70