12Alpha-Hydroxygrandiflorenic Acid

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Catalog Number ACM63768172
CAS 63768-17-2
IUPAC Name (1S,4S,5R,9R,12S,13R)-12-hydroxy-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadec-10-ene-5-carboxylic acid
Molecular Weight 316.4
Molecular Formula C20H28O3
Canonical SMILES CC12CCCC(C1CCC34C2=CC(C(C3)C(=C)C4)O)(C)C(=O)O
Inchi InChI=1S/C20H28O3/c1-12-10-20-8-5-15-18(2,6-4-7-19(15,3)17(22)23)16(20)9-14(21)13(12)11-20/h9,13-15,21H,1,4-8,10-11H2,2-3H3,(H,22,23)/t13-,14+,15+,18-,19-,20-/m1/s1
InChIKey YKLRBAUBANVECM-SUIOEDAWSA-N
Purity 98%
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