AJUGAPITIN
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Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 159090
Name
AJUGAPITIN
IUPAC name
(1R,3R,4aR,5S,6R,8S,8aR)-8-acetoxy-8a-(acetoxymethyl)-3-hydroxy-5,6-dimethyl-5-((3aS,6aS)-2,3,3a,6a-tetrahydrofuro[2,3-b]furan-2-yl)octahydro-2H-spiro[naphthalene-1,2'-oxiran]-2-yl (2S)-2-methylbutanoate
SMILES
CC[C@H](C)C(=O)OC1[C@@H](C[C@@H]2[C@@]([C@@H](C[C@@H]([C@]2([C@@]13CO3)COC(=O)C)OC(=O)C)C)(C)C4C[C@H]5C=CO[C@H]5O4)O
Molecular formula
C29H42O10
Molecular weight
550.65 g/mol
Monoisotopic mass
550.2778 Da
Pathway:
Superclass:
Class:
Glycoside:
No
Chemical classification: NPClassifier (Kim et al., 2021)
| Plant | Plant part | Amount | Reference |
|---|---|---|---|
| Ajuga chamaepitys (L.) Schreb. | - | 36 ppm |
Jim Duke's personal files.
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