(3R,4S)-3-[(1R)-2-[(1R,4aS,5R,6R,8aS)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-1-hydroxyethyl]-4-hydroxyoxolan-2-one

CNP0113086.1 · C20H32O6 · View on COCONUT ↗

2D Structure

Download 2D SDF Download 3D SDF

Identifiers

Name	(3R,4S)-3-[(1R)-2-[(1R,4aS,5R,6R,8aS)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-1-hydroxyethyl]-4-hydroxyoxolan-2-one
IUPAC Name	(3~{R},4~{S})-3-[(1~{R})-2-[(1~{R},4~{a}~{S},5~{R},6~{R},8~{a}~{S})-6-hydroxy-5-(hydroxymethyl)-5,8~{a}-dimethyl-2-methylene-decalin-1-yl]-1-hydroxy-ethyl]-4-hydroxy-tetrahydrofuran-2-one
COCONUT ID	CNP0113086.1
InChIKey	NLYQWYLWLQBMPF-OECGOHCASA-N
InChI	InChI=1S/C20H32O6/c1-11-4-5-15-19(2,7-6-16(24)20(15,3)10-21)12(11)8-13(22)17-14(23)9-26-18(17)25/h12-17,21-24H,1,4-10H2,2-3H3/t12-,13-,14-,15+,16-,17-,19+,20+/m1/s1
SMILES	C=C1CC[C@@H]2[C@](C)(CO)[C@H](O)CC[C@@]2(C)[C@@H]1C[C@@H](O)[C@H]1C(=O)OC[C@H]1O

Properties

Molecular Formula	C20H32O6
Molecular Weight	368.47
Exact Mass	368.21989
Log P (ALogP)	1.01
TPSA	107.22
H-Bond Donors / Acceptors	4 / 6
Rotatable Bonds	4
Lipinski's Rule of 5 Violations	0
QED Drug-likeness	0.44
NP-likeness	3.19

Classification

NP Pathway	Terpenoids
NP Superclass	Diterpenoids
NP Class	Labdane diterpenoids
Chemical Superclass	Lipids and lipid-like molecules
Chemical Class	Prenol lipids
Chemical Subclass	Terpene lactones

Reported in GR-MAPs Plants

Andrographis paniculata	as “Andrographis paniculata” 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