Negundonorin A
HIT212524570
sdf文件结构编辑类似物检索
HIT ID: HIT212524570
Cas No: 1401618-51-6
分子式: C29H40O5
分子量: 468.634
常用名: Negundonorin A
氢键受体数 (HBA): 5
氢键供体数 (HBD): 3
LogP: 4.638
IUPAC: (1R,2R,6aS,6bR,12aS,14bS)-1,11-dihydroxy-1,2,6a,6b,9,12a-hexamethyl-10-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,10,12a,12b,13,14b-hexadecahydropicene-4a-carboxylic acid
IUPAC: (1R,2R,6aS,6bR,12aS,14bS)-1,11-dihydroxy-1,2,6a,6b,9,12a-hexamethyl-10-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,10,12a,12b,13,14b-hexadecahydropicene-4a-carboxylic acid
SMILES: [H][C@]12C3=CCC4[C@@]5(C)C=C(O)C(=O)C(C)=C5CC[C@@]4(C)[C@]3(C)CCC1(CC[C@@H](C)[C@@]2(C)O)C(O)=O |c:14,t:2,8|
SMILES: [H][C@]12C3=CCC4[C@@]5(C)C=C(O)C(=O)C(C)=C5CC[C@@]4(C)[C@]3(C)CCC1(CC[C@@H](C)[C@@]2(C)O)C(O)=O |c:14,t:2,8|
InChI key: HHOKYTBXHJFJOV-YRYOBEBDSA-N
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