Name: (Z)-23-Coumaroylhederagenin
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT214312500
Cas No:654678-61-2
常用名:(Z)-23-Coumaroylhederagenin
IUPAC:(4aS,6aS,6bR,8aR,9R,10S,12aR,12bR,14bS)-10-hydroxy-9-({[(2Z)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}methyl)-2,2,6a,6b,9,12a-hexamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylic acid
IUPAC:(4aS,6aS,6bR,8aR,9R,10S,12aR,12bR,14bS)-10-hydroxy-9-({[(2Z)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}methyl)-2,2,6a,6b,9,12a-hexamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylic acid
InChI key:APFPLZLTXJYXMM-DMMZMUBQSA-N

分子式:C39H54O6
分子量:618.855
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(COC(=O)\C=C/c6ccc(O)cc6)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(O)=O |c:10|
SMILES:CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(COC(=O)\C=C/c6ccc(O)cc6)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(O)=O |c:10|

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