Camaldulenic acid
HIT214311988
sdf文件结构编辑类似物检索
HIT ID: HIT214311988
Cas No: 71850-15-2
分子式: C30H46O4
分子量: 470.694
常用名: Camaldulenic acid
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (4aS,6aS,6bR,8aR,10R,11R,12aS,12bR)-10,11-dihydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b-octadecahydropicene-4a-carboxylic acid
IUPAC: (4aS,6aS,6bR,8aR,10R,11R,12aS,12bR)-10,11-dihydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b-octadecahydropicene-4a-carboxylic acid
SMILES: CC1(C)CC[C@@]2(CC[C@]3(C)C(C=C[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)=C2C1)C(O)=O |c:11,31|
SMILES: CC1(C)CC[C@@]2(CC[C@]3(C)C(C=C[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)=C2C1)C(O)=O |c:11,31|
InChI key: YOLIZCATBHWOBV-JZQYXDLISA-N
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