Name: (E)-6-O-p-Coumaroyl scandoside methyl ester
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HIT ID:HIT214317405
Cas No:83946-90-1
常用名:(E)-6-O-p-Coumaroyl scandoside methyl ester
常用名:(E)-6-O-p-Coumaroyl scandoside methyl ester
别名:6-O-E-pcoumaroyl scandoside methyl ester, (E)-6-O-香豆酰鸡屎藤次苷甲酯, (E)-6-O-(p-coumaroyl)scandoside methyl ester
别名:6-O-E-pcoumaroyl scandoside methyl ester, (E)-6-O-香豆酰鸡屎藤次苷甲酯, (E)-6-O-(p-coumaroyl)scandoside methyl ester
IUPAC:methyl (1S,4aS,5R,7aS)-7-(hydroxymethyl)-5-{[3-(4-hydroxyphenyl)prop-2-enoyl]oxy}-1-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4aH,5H,7aH-cyclopenta[c]pyran-4-carboxylate
IUPAC:methyl (1S,4aS,5R,7aS)-7-(hydroxymethyl)-5-{[3-(4-hydroxyphenyl)prop-2-enoyl]oxy}-1-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4aH,5H,7aH-cyclopenta[c]pyran-4-carboxylate
InChI key:ABYPZHZWILXERF-TVGGGHQWSA-N

分子式:C26H30O13
分子量:550.513
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@]12[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)OC=C(C(=O)OC)[C@@]1([H])[C@H](OC(=O)C=Cc1ccc(O)cc1)C=C2CO |w:28.29,c:40,t:17|
SMILES:[H][C@]12[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)OC=C(C(=O)OC)[C@@]1([H])[C@H](OC(=O)C=Cc1ccc(O)cc1)C=C2CO |w:28.29,c:40,t:17|

(E)-6-O-p-Coumaroyl scandoside methyl ester是一种发现于oldenlandia diffusa的天然产物，可用于生物化学实验和药物合成研究。

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