1beta-Hydroxytorilin
HIT213886999
sdf文件结构编辑类似物检索
HIT ID: HIT213886999
Cas No: 509078-16-4;887147-75-3
分子式: C22H32O6
分子量: 392.492
常用名: 1beta-Hydroxytorilin
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (5S,6R,8S,8aS)-5-[2-(acetyloxy)propan-2-yl]-8a-hydroxy-3,8-dimethyl-2-oxo-1,2,4,5,6,7,8,8a-octahydroazulen-6-yl (2Z)-2-methylbut-2-enoate
IUPAC: (5S,6R,8S,8aS)-5-[2-(acetyloxy)propan-2-yl]-8a-hydroxy-3,8-dimethyl-2-oxo-1,2,4,5,6,7,8,8a-octahydroazulen-6-yl (2Z)-2-methylbut-2-enoate
SMILES: C\C=C(\C)C(=O)O[C@@H]1C[C@H](C)[C@@]2(O)CC(=O)C(C)=C2C[C@@H]1C(C)(C)OC(C)=O |c:17|
SMILES: C\C=C(\C)C(=O)O[C@@H]1C[C@H](C)[C@@]2(O)CC(=O)C(C)=C2C[C@@H]1C(C)(C)OC(C)=O |c:17|
InChI key: YSHITMOTGBUVPS-CKPVPAQKSA-N
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