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Chemical structure of Wilforol A

GC72071

Wilforol A

Also known as (2R,4aS,6aR,6aS,14aS,14bR)-10,11-dihydroxy-2,4a,6a,6a,9,14a-hexamethyl-8-oxo-1,3,4,5,6,13,14,14b-octahydropicene-2-carboxylic acid

Wilforol A ((-)-Wilforol A), plant metabolite, is a pentacyclic triterpenoid

ChemicalCAS167882-66-8MW466.61FormulaC29H38O5
CAS number
167882-66-8
Molecular weight
466.61
Formula
C29H38O5
InChIKey
MIQDJLKXHZPMHH-CPISFEQASA-N
Catalogue number
GC72071
Brand
GLPBIO
Computed properties PubChem CID 10096097 · XLogP 6.6 · TPSA 94.8 Ų · H-bond donors 3
XLogP
6.6
TPSA
94.8 Ų
H-bond donors
3
H-bond acceptors
5
Rotatable bonds
1
Heavy atoms
34

SMILES CC1=C2C(=CC(=C1O)O)[C@@]3(CC[C@]4([C@@H]5C[C@](CC[C@@]5(CC[C@@]4(C3=CC2=O)C)C)(C)C(=O)O)C)C

Computed descriptors from PubChem (CID 10096097), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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