(3~{R},4~{R},4~{a}~{R},6~{a}~{S},6~{b}~{R},8~{a}~{R},12~{a}~{R},14~{b}~{S})-3-acetoxy-4,6~{a},6~{b},8~{a},11,11,14~{b}-heptamethyl-1,2,3,4~{a},5,6,7,8,9,10,12,12~{a}-dodecahydropicene-4-carboxylic acid

CNP0199398.1 · C32H48O4 · View on COCONUT ↗

2D Structure

Download 2D SDF Download 3D SDF

Identifiers

IUPAC Name	(3~{R},4~{R},4~{a}~{R},6~{a}~{S},6~{b}~{R},8~{a}~{R},12~{a}~{R},14~{b}~{S})-3-acetoxy-4,6~{a},6~{b},8~{a},11,11,14~{b}-heptamethyl-1,2,3,4~{a},5,6,7,8,9,10,12,12~{a}-dodecahydropicene-4-carboxylic acid
COCONUT ID	CNP0199398.1
InChIKey	XZVTYYAGALRAEL-PWINJCIHSA-N
InChI	InChI=1S/C32H48O4/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/h9-10,22,24-25H,11-19H2,1-8H3,(H,34,35)/t22-,24+,25+,28+,29+,30+,31+,32+/m0/s1
SMILES	CC(=O)O[C@@H]1CC[C@]2(C)C3=CC=C4[C@@H]5CC(C)(C)CC[C@]5(C)CC[C@@]4(C)[C@]3(C)CC[C@H]2[C@@]1(C)C(=O)O

Properties

Molecular Formula	C32H48O4
Molecular Weight	496.73
Exact Mass	496.35526
Log P (ALogP)	7.72
TPSA	63.60
H-Bond Donors / Acceptors	1 / 3
Rotatable Bonds	2
Lipinski's Rule of 5 Violations	1
QED Drug-likeness	0.40
NP-likeness	3.05

Classification

NP Pathway	Terpenoids
NP Superclass	Triterpenoids
NP Class	Oleanane triterpenoids
Chemical Superclass	Lipids and lipid-like molecules
Chemical Class	Prenol lipids
Chemical Subclass	Triterpenoids

Reported in GR-MAPs Plants

Boswellia serrata	as “Boswellia serrata” in COCONUT

References (1)

10.1002/MRC.1138

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