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Chemical structure of 3-O-Acetyloleanolic acid

GC35099

3-O-Acetyloleanolic acid

Also known as (4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-acetyloxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid

3-O-Acetyloleanolic acid (3AOA), an oleanolic acid derivative isolated from the seeds of Vigna sinensis K·, induces in cancer and also exhibits anti-angiogenesis activity

ChemicalCAS4339-72-4MW498.74FormulaC32H50O4
CAS number
4339-72-4
Molecular weight
498.74
Formula
C32H50O4
Solubility
DMF： 0·14mg/mL
InChIKey
RIXNFYQZWDGQAE-DFHVBEEKSA-N
Catalogue number
GC35099
Brand
GLPBIO
Computed properties PubChem CID 151202 · XLogP 8.1 · TPSA 63.6 Ų · H-bond donors 1
XLogP
8.1
TPSA
63.6 Ų
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
36

SMILES CC(=O)O[C@H]1CC[C@]2([C@H](C1(C)C)CC[C@@]3([C@@H]2CC=C4[C@]3(CC[C@@]5([C@H]4CC(CC5)(C)C)C(=O)O)C)C)C

Computed descriptors from PubChem (CID 151202), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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