(3~{S},14~{b}~{R})-8~{a}-(hydroxymethyl)-4,4,6~{a},6~{a},11,11,14~{b}-heptamethyl-1,2,3,4~{a},5,6,8,9,10,12,12~{a},13,14,14~{a}-tetradecahydropicen-3-ol

CNP0228526.2 · C30H50O2 · View on COCONUT ↗

2D Structure

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Identifiers

IUPAC Name	(3~{S},14~{b}~{R})-8~{a}-(hydroxymethyl)-4,4,6~{a},6~{a},11,11,14~{b}-heptamethyl-1,2,3,4~{a},5,6,8,9,10,12,12~{a},13,14,14~{a}-tetradecahydropicen-3-ol
COCONUT ID	CNP0228526.2
InChIKey	RJAKLUPHSBOQNU-KYJZBGRDSA-N
InChI	InChI=1S/C30H50O2/c1-25(2)16-17-30(19-31)15-10-22-28(6)12-8-20-26(3,4)24(32)11-14-27(20,5)21(28)9-13-29(22,7)23(30)18-25/h10,20-21,23-24,31-32H,8-9,11-19H2,1-7H3/t20?,21?,23?,24-,27-,28?,29?,30?/m0/s1
SMILES	CC1(C)CCC2(CO)CC=C3C(C)(CCC4C3(C)CCC3C(C)(C)[C@@H](O)CC[C@]43C)C2C1

Properties

Molecular Formula	C30H50O2
Molecular Weight	442.73
Exact Mass	442.38108
Log P (ALogP)	7.14
TPSA	40.46
H-Bond Donors / Acceptors	2 / 2
Rotatable Bonds	1
Lipinski's Rule of 5 Violations	1
QED Drug-likeness	0.42
NP-likeness	2.97

Classification

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

Reported in GR-MAPs Plants

Pelargonium graveolens	as “Pelargonium graveolens” in COCONUT
Artemisia annua	as “Artemisia annua L.” in COCONUT

References (2)

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