ALNINCANONE
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Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 12305742
Name
ALNINCANONE
IUPAC name
(5R,8R,9R,10R,13R,14R,17S)-17-((2S,5R)-5-isopropyl-2,5-dimethyltetrahydrofuran-2-yl)-4,4,8,10,14-pentamethylhexadecahydro-3H-cyclopenta[a]phenanthren-3-one
SMILES
CC(C)[C@]1(CC[C@@](O1)(C)[C@H]2CC[C@@]3([C@@H]2CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CCC(=O)C5(C)C)C)C)C)C
Molecular formula
C31H52O2
Molecular weight
456.76 g/mol
Monoisotopic mass
456.3967 Da
Pathway:
Superclass:
Class:
Glycoside:
No
Chemical classification: NPClassifier (Kim et al., 2021)
| Plant | Plant part | Amount | Reference |
|---|---|---|---|
| Alnus glutinosa (L.) Gaertn. | - | - |
Duke, James A. 1992. Handbook of phytochemical constituents of GRAS herbs and other economic plants. Boca Raton, FL. CRC Press.
|