Secondary Metabolites Search

PRELEOSIBIRIN

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Structure

2D structure of PRELEOSIBIRIN
2D structure
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3D model

Drawn and modelled with RDKit, 3D viewer 3Dmol.js.

Names and identifiers

Name

PRELEOSIBIRIN

IUPAC name

(2''R,3R,4''S,5'R,5''R,6''S,8a''S)-4''-hydroxy-2'',5'',8a''-trimethyl-3''-oxo-3',3'',4',4'',4a'',5'',6'',7'',8'',8a''-decahydro-2H,2''H-dispiro[furan-3,2'-furan-5',1''-naphthalene]-5'',6''-diyl diacetate

SMILES

C1[C@]2(C([C@@]([C@H](C1)OC(C)=O)(C)OC(C)=O)[C@@H](C([C@@H]([C@]24CC[C@@]3(COC=C3)O4)C)=O)O)C

General information

Molecular formula

C23H32O8

Molecular weight

436.50 g/mol

Monoisotopic mass

436.2097 Da

Classification

Pathway:
Terpenoids
Superclass:
Diterpenoids
Class:
Labdane diterpenoids
Glycoside:
No

Chemical classification: NPClassifier (Kim et al., 2021)

Plants with the compound

Plant Plant part Amount Reference
Ballota nigra L. subsp. meridionalis (Bég.) Bég. - -
Newall, C. A., Anderson, L. A. and Phillipson, J. D. 1996. Herbal Medicine - A Guide for Health-care Professionals. The Pharmaceutical Press, London. 296pp.
Ballota nigra L. subsp. meridionalis (Bég.) Bég. aerial parts -
Seidel, V., Verholle, M., Malard, Y., Tillequin, F., Fruchart, J-C., Duriez, P., Bailleul, F., Teissier, E. 2000. Phenylpropanoids from Ballota nigra L. Inhibit in vitro LDL Peroxidation. Phytotherapy Research, 14(2): 93-98.