LUPULIN
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Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 10841022
Name
LUPULIN
IUPAC name
(1R,2S,3R,4aR,5S,6R,8S,8aR)-8-acetoxy-8a-(acetoxymethyl)-3-hydroxy-5-((2S,5R)-5-methoxyhexahydrofuro[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](C[C@@H]2[C@@]([C@@H](C[C@@H]([C@]2([C@@]13CO3)COC(=O)C)OC(=O)C)C)(C)[C@@H]4CC5C[C@@H](OC5O4)OC)O
Molecular formula
C30H46O11
Molecular weight
582.69 g/mol
Monoisotopic mass
582.3040 Da
Pathway:
Superclass:
Class:
Glycoside:
Yes
Chemical classification: NPClassifier (Kim et al., 2021)
| Plant | Plant part | Amount | Reference |
|---|---|---|---|
| Humulus lupulus L. | fruit | - |
Duke, James A. 1992. Handbook of phytochemical constituents of GRAS herbs and other economic plants. Boca Raton, FL. CRC Press.
|