CASTALIN
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Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 15698968
Name
CASTALIN
IUPAC name
(7S,8S,9R,10R,25R)-1,2,3,9,14,15,16,18,19,20,25-undecahydroxy-10-(hydroxymethyl)-7,8,9,10-tetrahydro-5H,12H-8,17,21-(epoxyethane[1]yl[2,2]diylidene)-4,7-methanodibenzo[h,o][1,6]dioxacycloheptadecine-5,12,23-trione
SMILES
[H][C@@]1(O)C2=C(O)C(O)=C(O)C3=C2C(=O)O[C@]1([H])[C@@]1([H])OC(=O)C2=C(C(O)=C(O)C(O)=C32)C2=C(O)C(O)=C(O)C=C2C(=O)O[C@]([H])(CO)[C@@]1([H])O
Molecular formula
C27H20O18
Molecular weight
632.44 g/mol
Monoisotopic mass
632.0650 Da
Pathway:
Superclass:
Class:
Glycoside:
No
Chemical classification: NPClassifier (Kim et al., 2021)
| Plant | Plant part | Amount | Reference |
|---|---|---|---|
| Castanea sativa Mill. | - | - |
Duke, James A. 1992. Handbook of phytochemical constituents of GRAS herbs and other economic plants. Boca Raton, FL. CRC Press.
|