18beta-Olean-12-ene-3beta-23,28-triol

CNP0349637.1 · C30H50O3 · View on COCONUT ↗

2D Structure

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Identifiers

Name	18beta-Olean-12-ene-3beta-23,28-triol
IUPAC Name	(3~{S},4~{R},4~{a}~{R},6~{a}~{R},6~{b}~{S},8~{a}~{S},12~{a}~{S},14~{a}~{R},14~{b}~{R})-4,8~{a}-bis(hydroxymethyl)-4,6~{a},6~{b},11,11,14~{b}-hexamethyl-1,2,3,4~{a},5,6,7,8,9,10,12,12~{a},14,14~{a}-tetradecahydropicen-3-ol
COCONUT ID	CNP0349637.1
CAS	35043-82-4
InChIKey	GGJRJQAJVMFZIP-ODAROHGKSA-N
InChI	InChI=1S/C30H50O3/c1-25(2)13-15-30(19-32)16-14-28(5)20(21(30)17-25)7-8-23-26(3)11-10-24(33)27(4,18-31)22(26)9-12-29(23,28)6/h7,21-24,31-33H,8-19H2,1-6H3/t21-,22+,23+,24-,26-,27-,28+,29+,30+/m0/s1
SMILES	CC1(C)CC[C@]2(CO)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]2C1

Properties

Molecular Formula	C30H50O3
Molecular Weight	458.73
Exact Mass	458.37600
Log P (ALogP)	6.11
TPSA	60.69
H-Bond Donors / Acceptors	3 / 3
Rotatable Bonds	2
Lipinski's Rule of 5 Violations	1
QED Drug-likeness	0.44
NP-likeness	3.18

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

Gymnema sylvester	as “Gymnema sylvestre” 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