Name: Zamanic acid
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT213886334
Cas No:260393-05-3
常用名:Zamanic acid
IUPAC:(1R,2R,4aS,6aS,6bR,8aR,10S,12aR,12bR,14bS)-10-hydroxy-2-({[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}methyl)-1,6a,6b,9,9,12a-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:(1R,2R,4aS,6aS,6bR,8aR,10S,12aR,12bR,14bS)-10-hydroxy-2-({[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}methyl)-1,6a,6b,9,9,12a-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:KZEFHUMSFIGJBU-BFDBMYDBSA-N

分子式:C39H54O6
分子量:618.855
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:C[C@H]1[C@H](COC(=O)\C=C\c2ccc(O)cc2)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@H]12)C(O)=O |c:24|
SMILES:C[C@H]1[C@H](COC(=O)\C=C\c2ccc(O)cc2)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@H]12)C(O)=O |c:24|

Zamanic acid是一种天然产物，属于夹竹桃科鸡蛋花属，其产品编号为 TN5277，CAS号为 260393-05-3。Zamanic acid可用作对照参考。

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