14-Chlorodehydroabietic Acid

Analyte Name

14-Chlorodehydroabietic Acid

CAS Number

65281-76-7

Molecular Formula

C20 H27 Cl O2

Molecular Weight

334.88

Accurate Mass

334.17

SMILES

CC(C)c1ccc2c(CC[C@H]3[C@@](C)(CCC[C@]23C)C(=O)O)c1Cl

InChI

InChI=1S/C20H27ClO2/c1-12(2)13-6-8-15-14(17(13)21)7-9-16-19(15,3)10-5-11-20(16,4)18(22)23/h6,8,12,16H,5,7,9-11H2,1-4H3,(H,22,23)/t16-,19-,20-/m1/s1

IUPAC

(1R,4aS,10aR)-8-chloro-7-isopropyl-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid

Storage Temperature

+4°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

Purity

>95% (HPLC)