Kadsuric Acid 3-Methylester

Catalog	BBC1041070169
CAS	1041070-16-9
Synonyms	(3R,3aR,6S,7S,9aS,9bS)-3-[(1R,4Z)-5-Carboxy-1-methyl-4-hexen-1-yl]-2,3,3a,4,6,7,8,9,9a,9b-decahydro-3a,6,9b-trimethyl-7-(1-methylethenyl)-1H-benz[e]indene-6-propanoic acid 6-methyl ester
IUPAC Name	(Z,6R)-6-[(3R,3aR,6S,7S,9aS,9bS)-6-(3-methoxy-3-oxopropyl)-3a,6,9b-trimethyl-7-prop-1-en-2-yl-1,2,3,4,7,8,9,9a-octahydrocyclopenta[a]naphthalen-3-yl]-2-methylhept-2-enoic acid
Molecular Weight	484.7
Molecular Formula	C31H48O4
Canonical SMILES	CC(CCC=C(C)C(=O)O)C1CCC2(C1(CC=C3C2CCC(C3(C)CCC(=O)OC)C(=C)C)C)C
InChI	InChI=1S/C31H48O4/c1-20(2)23-12-13-26-25(29(23,5)17-16-27(32)35-8)15-19-30(6)24(14-18-31(26,30)7)21(3)10-9-11-22(4)28(33)34/h11,15,21,23-24,26H,1,9-10,12-14,16-19H2,2-8H3,(H,33,34)/b22-11-/t21-,23+,24-,26-,29+,30-,31+/m1/s1
InChI Key	NLLYXLDQSXMKSE-ABXAZKELSA-N
Purity	98%
Appearance	Powder