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Chemical structure of 7-Oxodehydroabietic acid

GC64449

7-Oxodehydroabietic acid

Also known as (1R,4aS,10aR)-1,4a-dimethyl-9-oxo-7-propan-2-yl-3,4,10,10a-tetrahydro-2H-phenanthrene-1-carboxylic acid

7-Oxodehydroabietic acid is a diterpene resin acid isolated from the roots of the pine Pinus densiflora

ChemicalCAS18684-55-4MW314.42FormulaC20H26O3
CAS number
18684-55-4
Molecular weight
314.42
Formula
C20H26O3
InChIKey
MSWJSDLNPCSSNW-MISYRCLQSA-N
Catalogue number
GC64449
Brand
GLPBIO
Computed properties PubChem CID 29212 · XLogP 4.5 · TPSA 54.4 Ų · H-bond donors 1
XLogP
4.5
TPSA
54.4 Ų
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
23

SMILES CC(C)C1=CC2=C(C=C1)[C@]3(CCC[C@@]([C@@H]3CC2=O)(C)C(=O)O)C

Computed descriptors from PubChem (CID 29212), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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