ent-3β-Tigloyloxykaur-16-en-19-oic acid

Catalog	BBC79406090
CAS	79406-09-0
Synonyms	3alpha-Tigloyloxy-ent-kaur-16-en-oic acid
IUPAC Name	(1S,4S,5S,6R,9S,10R,13R)-5,9-dimethyl-6-[(E)-2-methylbut-2-enoyl]oxy-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid
Molecular Weight	400.56
Molecular Formula	C25H36O4
Canonical SMILES	C/C=C(\C)/C(=O)O[C@@H]1CC[C@]2([C@@H]3CC[C@@H]4C[C@@]3(CC[C@@H]2[C@]1(C)C(=O)O)CC4=C)C
InChI	InChI=1S/C25H36O4/c1-6-15(2)21(26)29-20-10-11-23(4)18(24(20,5)22(27)28)9-12-25-13-16(3)17(14-25)7-8-19(23)25/h6,17-20H,3,7-14H2,1-2,4-5H3,(H,27,28)/b15-6+/t17-,18+,19+,20-,23-,24+,25-/m1/s1
InChI Key	HCVOJPQEMAKKFV-ZRAJGRQHSA-N
Purity	98%
Appearance	Solid