Triterpenoids

Acetyl-alpha-boswellic acid

3-乙酰基-α-乳香酸

PHY-NP-00921 · Natural product research catalog

Catalog number	PHY-NP-00921
CAS number	89913-60-0
Molecular formula	C₃₂H₅₀O₄
Molecular weight	498.748 g/mol
Chemical class	Triterpenoids
Main reported source	Boswellia sacra
Purity / assay	Min. 98% Other purity specifications available on inquiry.

Chemical structure

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Product information

Acetyl-alpha-boswellic acid is listed in the Triterpenoids section of the Phytide Bio research catalog. Standard pack sizes are 5, 10, 20, 50 and 100 mg.

For research use only. Not for human or veterinary use, diagnosis or treatment.

Names & identifiers

IUPAC name	(3R,4R,4aR,6aR,6bS,8aR,12aR,14aR,14bR)-3-acetyloxy-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4-carboxylic acid
SMILES	CC(=O)O[C@@H]1CC[C@]2([C@H]([C@@]1(C)C(=O)O)CC[C@@]3([C@@H]2CC=C4[C@]3(CC[C@@]5([C@H]4CC(CC5)(C)C)C)C)C)C
InChIKey	IAWGZKRQDHPFCZ-OBHGTAHRSA-N
Subclass / scaffold	Oleanane triterpenoids
PubChem CID	15181201

Computed properties

Exact mass (Da)	498.3709	Predicted LogP	7.8044
Predicted TPSA (Å²)	63.6	H-bond donors	1
H-bond acceptors	3	Rotatable bonds	2

Calculated values from the supplied dataset; not measured batch specifications.

View additional properties & classification

Ring count	5
Aromatic rings	0
Fraction Csp³	0.875
Synthetic accessibility score	4.78
QED score	0.311
Lipinski rule violations	1
NPClassifier pathway	Terpenoids
NPClassifier superclass	Triterpenoids
NPClassifier class	Oleanane triterpenoids
Parent SMILES	CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC=C2[C@@H]4CC(C)(C)CC[C@]4(C)CC[C@]23C)[C@@]1(C)C(=O)O
Parent formula	C₃₂H₅₀O₄
Parent molecular weight	498.748
Specified stereocenters	9
Unspecified stereocenters	0

Reported natural occurrence

Main reported source	Boswellia sacra
Reported source families	Burseraceae; Bignoniaceae

Reported natural occurrence does not establish the manufacturing origin of the supplied material.

View occurrence records & references

LOTUS / Wikidata species	Boswellia sacra[4]; Boswellia carteri[3]; Boswellia serrata[2]; Radermachera boniana[1]
All reported source families	Burseraceae[3]; Bignoniaceae[1]
LOTUS species records	4
LOTUS reference records	7
COCONUT occurrence records	Boswellia carteri; Boswellia carterii; Boswellia sacra; Boswellia serrata; Radermachera boniana
COCONUT organism records	5
COCONUT identifier	CNP0249462.1

Records are inherited from the supplied dataset and are not independently verified. Taxonomic names may include synonyms.

Documents & specifications

Certificate of analysis (COA)	Batch-specific COA available on request; no PDF published yet
Safety data sheet (SDS)	Not yet published
Storage / solubility	Product-specific conditions to be confirmed
Shipping	Confirmed with the quotation

Request applicable documentation and handling information before ordering or use.