ARVENIN I
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Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 6441104
Name
ARVENIN I
IUPAC name
(R,E)-6-hydroxy-6-((2S,8S,9R,10R,13R,14S,16R,17R)-16-hydroxy-4,4,9,13,14-pentamethyl-3,11-dioxo-2-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-methyl-5-oxohept-3-en-2-yl acetate
SMILES
CC(=O)OC(C)(C)/C=C/C(=O)[C@@](C)([C@H]1[C@@H](C[C@@]2([C@@]1(CC(=O)[C@@]3([C@H]2CC=C4[C@H]3C[C@@H](C(=O)C4(C)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)C)C)C)O)O
Molecular formula
C38H56O13
Molecular weight
720.85 g/mol
Monoisotopic mass
720.3721 Da
Chemical classification: NPClassifier (Kim et al., 2021)
| Plant | Plant part | Amount | Reference |
|---|---|---|---|
| Lysimachia arvensis (L.) U.Manns & Anderb. | - | - |
Yamada, Y., Hagiwara, K., Iguchi, K., Suzuki, S., Hsu, H.Y. (1978). Isolation and structures of arvenins from Anagallis arvensis (Primulaceae). new cucurbitacin glucosides. Chem Pharm Bull, 26, 3107 doi:10.1248/cpb.26.3107
|
| Lysimachia arvensis (L.) U.Manns & Anderb. | aerial parts | - |
Yamada, Y., Hagiwara, K., Iguchi, K., Suzuki, S. (1977). Structures of arvenin i and ii, bitter principles from Anagallis arvensis (Primulaceae) new cucurbitacin glucosides. Tetrahedron Lett, 2099 doi:10.1016/s0040-4039(01)83690-x
|