Neoeuonymine

neoeuonymine

https://huagongshe.com/ja/chemical/477608

識別子と物理属性

CAS No.	33510-25-7
分子式	C36H45NO17
平均分子量	763.7 g/mol
単同位体質量	763.26874897 g/mol
SMILES	CC(=O)OC[C@]12[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]3[C@@H](O)[C@@]14O[C@@]3(C)COC(=O)c1cccnc1[C@@H](C)[C@H](C)C(=O)O[C@@H]([C@H](OC(C)=O)[C@@H]2OC(C)=O)C4(C)O
InChIKey	NKTOESKXBIEREY-RRFKVAGVSA-N
PubChem CID	477608
ChEMBL	CHEMBL499170

化学・物理的性質

XLogP	-0.1
極性表面積	247
水素結合供与体数	2
水素結合受容体数	18
回転可能結合数	11
重原子数	54
形式電荷	0
複雑度	1,570
融点	2S9-262°C
InChIKey	NKTOESKXBIEREY-RRFKVAGVSA-N

用途

説明

A macrocyclic alkaloid occurring in Euonymus sieboldiana Blume, the base yields colourless crystals from MeOH. It is laevorotatory with [α]D - 11° (c 0.49, CHCI3). The ultraviolet spectrum has two absorption maxima at 228 and 266 mJi. Four acetoxy groups and one acetoxymethyl group are present together with one secondary and one tertiary hydroxyl group. The structure has been elucidated from spectroscopic investigations, particularly the NMR and mass spectra.