Structure

7-Oxodehydroabietic Acid

CAS
18684-55-4
Catalog Number
ACM18684554
Category
Chlorinated Phenol and Resin Acids Standards
Molecular Weight
314.4
Molecular Formula
C20H26O3

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Specification

IUPAC Name
(1R,4aS,10aR)-1,4a-dimethyl-9-oxo-7-propan-2-yl-3,4,10,10a-tetrahydro-2H-phenanthrene-1-carboxylic acid
Canonical SMILES
CC(C)C1=CC2=C(C=C1)C3(CCCC(C3CC2=O)(C)C(=O)O)C
InChI
InChI=1S/C20H26O3/c1-12(2)13-6-7-15-14(10-13)16(21)11-17-19(15,3)8-5-9-20(17,4)18(22)23/h6-7,10,12,17H,5,8-9,11H2,1-4H3,(H,22,23)/t17-,19-,20-/m1/s1
InChI Key
MSWJSDLNPCSSNW-MISYRCLQSA-N
Appearance
Powder
Physical State
Solid
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