15-ETHOXY-14-HYDRO-AJUGAPITIN
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Name
15-ETHOXY-14-HYDRO-AJUGAPITIN
IUPAC name
(1R,3R,4aR,5S,6R,8S,8aR)-8-acetoxy-8a-(acetoxymethyl)-5-((3aS,6aR)-5-ethoxyhexahydrofuro[2,3-b]furan-2-yl)-3-hydroxy-5,6-dimethyloctahydro-2H-spiro[naphthalene-1,2'-oxiran]-2-yl (2S)-2-methylbutanoate
SMILES
CC[C@H](C)C(=O)OC2[C@@H](C[C@@H]1[C@@]([C@@H](C[C@@H]([C@]1([C@@]23CO3)COC(=O)C)OC(=O)C)C)(C)C5C[C@H]4CC(O[C@H]4O5)OCC)O
Molecular formula
C31H48O11
Molecular weight
596.71 g/mol
Monoisotopic mass
596.3197 Da
Pathway:
Superclass:
Class:
Glycoside:
Yes
Chemical classification: NPClassifier (Kim et al., 2021)
| Plant | Plant part | Amount | Reference |
|---|---|---|---|
| Ajuga chamaepitys (L.) Schreb. | - | 15 ppm |
Jim Duke's personal files.
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