(3~{R},4~{S},4~{a}~{R},6~{a}~{R},6~{b}~{S},8~{a}~{R},11~{R},12~{S},12~{a}~{R},14~{a}~{R},14~{b}~{R})-4-(hydroxymethyl)-4,6~{a},6~{b},8~{a},11,12,14~{b}-heptamethyl-2,3,4~{a},5,6,7,8,9,10,11,12,12~{a},14,14~{a}-tetradecahydro-1~{H}-picen-3-ol

CNP0273491.3 · C30H50O2 · View on COCONUT ↗

2D Structure

Download 2D SDF Download 3D SDF

Identifiers

IUPAC Name	(3~{R},4~{S},4~{a}~{R},6~{a}~{R},6~{b}~{S},8~{a}~{R},11~{R},12~{S},12~{a}~{R},14~{a}~{R},14~{b}~{R})-4-(hydroxymethyl)-4,6~{a},6~{b},8~{a},11,12,14~{b}-heptamethyl-2,3,4~{a},5,6,7,8,9,10,11,12,12~{a},14,14~{a}-tetradecahydro-1~{H}-picen-3-ol
COCONUT ID	CNP0273491.3
InChIKey	OWRQLFZZRDBJKV-VIBYTCFNSA-N
InChI	InChI=1S/C30H50O2/c1-19-10-13-26(3)16-17-29(6)21(25(26)20(19)2)8-9-23-27(4)14-12-24(32)28(5,18-31)22(27)11-15-30(23,29)7/h8,19-20,22-25,31-32H,9-18H2,1-7H3/t19-,20+,22-,23-,24-,25+,26-,27+,28-,29-,30-/m1/s1
SMILES	C[C@H]1[C@H](C)CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@@H](O)[C@](C)(CO)[C@@H]5CC[C@]43C)[C@H]12

Properties

Molecular Formula	C30H50O2
Molecular Weight	442.73
Exact Mass	442.38108
Log P (ALogP)	7.00
TPSA	40.46
H-Bond Donors / Acceptors	2 / 2
Rotatable Bonds	1
Lipinski's Rule of 5 Violations	1
QED Drug-likeness	0.43
NP-likeness	3.20

Classification

NP Pathway	Terpenoids
NP Superclass	Triterpenoids
NP Class	Ursane and Taraxastane 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)

10.1016/0031-9422(95)99386-3

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