Name: Sculponeatic acid
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT213885713
Cas No:1169806-02-3
常用名:Sculponeatic acid
IUPAC:(3aS,5aR,5bS,7aR,11S,11aS,13aS,13bS)-11-hydroxy-1-(hydroxymethyl)-3,3,5a,5b,10,10,13b-heptamethyl-3H,3aH,4H,5H,5aH,5bH,6H,7H,7aH,8H,9H,10H,11H,11aH,13H,13aH,13bH-cyclopenta[a]chrysene-7a-carboxylic acid
IUPAC:(3aS,5aR,5bS,7aR,11S,11aS,13aS,13bS)-11-hydroxy-1-(hydroxymethyl)-3,3,5a,5b,10,10,13b-heptamethyl-3H,3aH,4H,5H,5aH,5bH,6H,7H,7aH,8H,9H,10H,11H,11aH,13H,13aH,13bH-cyclopenta[a]chrysene-7a-carboxylic acid
InChI key:ABBHOGULYDHHCV-XENLZXDWSA-N

分子式:C30H46O4
分子量:470.694
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CC1(C)C=C(CO)[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC=C2[C@@H]3[C@H](O)C(C)(C)CC[C@@]3(CC[C@@]12C)C(O)=O |t:3,18|
SMILES:CC1(C)C=C(CO)[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC=C2[C@@H]3[C@H](O)C(C)(C)CC[C@@]3(CC[C@@]12C)C(O)=O |t:3,18|

Sculponeatic acid是一种天然产物，属于唇形科香茶菜属，其产品编号为 TN4969，CAS号为 1169806-02-3。Sculponeatic acid可用作对照参考。

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