3-Acetyl-alpha-boswellic acid

CNP0249462.12 · C32H50O4 · View on COCONUT ↗

2D Structure

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Identifiers

Name	3-Acetyl-alpha-boswellic acid
IUPAC Name	(3R,4R,6aR,6bS,8aR,12aS,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
COCONUT ID	CNP0249462.12
InChIKey	IAWGZKRQDHPFCZ-GKDVOMOCSA-N
InChI	InChI=1S/C32H50O4/c1-20(33)36-25-12-13-29(5)23-10-9-21-22-19-27(2,3)15-16-28(22,4)17-18-30(21,6)31(23,7)14-11-24(29)32(25,8)26(34)35/h9,22-25H,10-19H2,1-8H3,(H,34,35)/t22-,23-,24?,25-,28-,29-,30-,31-,32-/m1/s1
SMILES	CC(=O)O[C@@H]1CC[C@@]2(C)C(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

Properties

Molecular Formula	C32H50O4
Molecular Weight	498.75
Exact Mass	498.37091
Log P (ALogP)	7.80
TPSA	63.60
H-Bond Donors / Acceptors	1 / 3
Rotatable Bonds	2
Lipinski's Rule of 5 Violations	1
QED Drug-likeness	0.31
NP-likeness	3.19

Classification

NP Pathway	Terpenoids
NP Superclass	Triterpenoids
NP Class	Oleanane triterpenoids
Chemical Superclass
Chemical Class
Chemical Subclass

Reported in GR-MAPs Plants

Boswellia serrata	as “Boswellia serrata” in COCONUT

References (1)

10.1055/S-2001-18346

Data from COCONUT (COlleCtion of Open Natural prodUcTs), released under CC0. Chandrasekhar V. et al. COCONUT 2.0: a comprehensive overhaul and curation of the collection of open natural products database. Nucleic Acids Research (2024), doi:10.1093/nar/gkae1063. COCONUT release 2026-10.

COCONUT Compound