12-Chlorodehydroabietic Acid

Analyte Name

12-Chlorodehydroabietic Acid

CAS Number

65310-45-4

Molecular Formula

C20 H27 Cl O2

Molecular Weight

334.88

Accurate Mass

334.17

SMILES

CC(C)c1cc2CC[C@H]3[C@@](C)(CCC[C@]3(C)c2cc1Cl)C(=O)O

InChI

InChI=1S/C20H27ClO2/c1-12(2)14-10-13-6-7-17-19(3,15(13)11-16(14)21)8-5-9-20(17,4)18(22)23/h10-12,17H,5-9H2,1-4H3,(H,22,23)/t17-,19-,20-/m1/s1

IUPAC

(1R,4aS,10aR)-6-chloro-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

Purity

>95% (HPLC)