80396-57-2
中文名称
PROTOPLUMERICIN A
英文名称
ProtopluMericin A
CAS
80396-57-2
分子式
C36H42O19
分子量
778.71
MOL 文件
80396-57-2.mol
80396-57-2 结构式
基本信息
中文别名
原鸡蛋花素A 英文别名
ProtoplumericinProtopluMericin A
Spiro[cyclopenta[c]pyran-7(1H),2'(5'H)-furan]-4-carboxylic acid, 1-(β-D-glucopyranosyloxy)-4'-[(1S)-1-[[(2E)-3-[4-(β-D-glucopyranosyloxy)phenyl]-1-oxo-2-propen-1-yl]oxy]ethyl]-4a,7a-dihydro-5'-oxo-, methyl ester, (1S,2'R,4aS,7aS)-
methyl(1S,4aS,7R,7aS)-5'-oxo-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4'-[(1S)-1-[(E)-3-[4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-enoyl]oxyethyl]spiro[4a,7a-dihydro-1H-cyclopenta[c]pyran-7,2'-furan]-4-carboxylate
所属类别
天然产物：环烯醚萜衍生物物理化学性质
沸点1040.3±65.0 °C(Predicted)
密度1.62±0.1 g/cm3(Predicted)
储存条件-20°C
溶解度water: soluble
酸度系数(pKa)12.77±0.70(Predicted)
形态solid
生物来源plant
水溶解性water: soluble
主要应用metabolomics
vitamins, nutraceuticals, and natural products
vitamins, nutraceuticals, and natural products
InChIKeyAFYIWKNGSIYXCQ-PYQCQGLYSA-N
SMILESO1C(C(C(C(C1CO)O)O)O)O[C@@H]2OC=C([C@@H]3[C@H]2[C@@]4(OC(=O)C(=C4)[C@@H](OC(=O)\C=C\c5ccc(cc5)OC6OC(C(C(C6O)O)O)CO)C)C=C3)C(=O)OC