Secondary Metabolites Search

MOSCHATINE

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Structure

2D structure of MOSCHATINE
2D structure
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3D model

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

Names and identifiers

Name

MOSCHATINE

IUPAC name

((2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-((S)-1-((8R,9S,10R,13R,14S,15S,17S)-15-hydroxy-10,13-dimethyl-3-oxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)ethoxy)tetrahydro-2H-pyran-2-yl)methyl 3-methoxy-4-(((2S,3R,4S,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)benzoate

SMILES

C1[C@]2(C(=CC(C1)=O)CC[C@@H]3[C@@H]2CC[C@]4([C@H]3[C@H](C[C@@H]4[C@H](C)O[C@H]7[C@@H]([C@H]([C@@H]([C@@H](COC(C5=CC=C(C(=C5)OC)O[C@H]6[C@@H]([C@H]([C@H]([C@@H](O6)C)O)O)O)=O)O7)O)O)O)O)C)C

General information

Molecular formula

C41H58O15

Molecular weight

790.90 g/mol

Monoisotopic mass

790.3776 Da

Classification

Pathway:
Terpenoids
Superclass:
Steroids
Class:
Pregnane steroids
Glycoside:
Yes

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

Plants with the compound

Plant Plant part Amount Reference
Achillea millefolium L. subsp. millefolium - -
Williamson, E. M. and Evans, F. J., Potter's New Cyclopaedia of Botanical Drugs and Preparations, Revised Ed., Saffron Walden, the C. W. Daniel Co., Ltd., Essex UK, 362 pp, 1988, reprint 1989.