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Chemical structure of 3-acetyl-11-keto-β-Boswellic Acid

GC14282

3-acetyl-11-keto-β-Boswellic Acid

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

3-acetyl-11-keto-β-Boswellic Acid (Acetyl-11-keto-β-boswellic acid) is an active triterpenoid compound from the extract of Boswellia serrate and a novel Nrf2 activator

ChemicalCAS67416-61-9MW512.7FormulaC32H48O5
CAS number
67416-61-9
Molecular weight
512.7
Formula
C32H48O5
Solubility
≤5mg/ml in ethanol;25mg/ml in DMSO;25mg/ml in dimethyl formamide
InChIKey
HMMGKOVEOFBCAU-BCDBGHSCSA-N
Catalogue number
GC14282
Brand
GLPBIO
Computed properties PubChem CID 11168203 · XLogP 7.2 · TPSA 80.7 Ų · H-bond donors 1
XLogP
7.2
TPSA
80.7 Ų
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
37

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

Computed descriptors from PubChem (CID 11168203), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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