14-HYDRO-15-HYDROXY-AJUGAPITIN
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Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 70697927
Name
14-HYDRO-15-HYDROXY-AJUGAPITIN
IUPAC name
(1R,2S,3R,4aR,5S,6R,8S,8aR)-8-acetoxy-8a-(acetoxymethyl)-3-hydroxy-5-((2S,3aS,6aR)-5-hydroxyhexahydrofuro[2,3-b]furan-2-yl)-5,6-dimethyloctahydro-2H-spiro[naphthalene-1,2'-oxiran]-2-yl 2-methylbutanoate
SMILES
CCC(C)C(=O)O[C@H]1[C@H](O)C[C@@H]2[C@@](C)([C@@H]3C[C@H]4CC(O)O[C@H]4O3)[C@H](C)C[C@H](OC(C)=O)[C@@]2(COC(C)=O)[C@@]11CO1
Molecular formula
C29H44O11
Molecular weight
568.66 g/mol
Monoisotopic mass
568.2884 Da
Pathway:
Superclass:
Class:
Glycoside:
Yes
Chemical classification: NPClassifier (Kim et al., 2021)
| Plant | Plant part | Amount | Reference |
|---|---|---|---|
| Ajuga chamaepitys (L.) Schreb. | - | 268 ppm |
Jim Duke's personal files.
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