Tagitinin A
HIT213886981
sdf文件结构编辑类似物检索
HIT ID: HIT213886981
Cas No: 59979-61-2
分子式: C19H28O7
分子量: 368.426
常用名: Tagitinin A
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (1S,2S,4R,8S,9R,11R,12R)-1,12-dihydroxy-2,11-dimethyl-7-methylidene-6-oxo-5,14-dioxatricyclo[9.2.1.0^{4,8}]tetradecan-9-yl 2-methylpropanoate
IUPAC: (1S,2S,4R,8S,9R,11R,12R)-1,12-dihydroxy-2,11-dimethyl-7-methylidene-6-oxo-5,14-dioxatricyclo[9.2.1.0^{4,8}]tetradecan-9-yl 2-methylpropanoate
SMILES: CC(C)C(=O)O[C@@H]1C[C@@]2(C)O[C@@](O)(C[C@H]2O)[C@@H](C)C[C@H]2OC(=O)C(=C)[C@H]12
SMILES: CC(C)C(=O)O[C@@H]1C[C@@]2(C)O[C@@](O)(C[C@H]2O)[C@@H](C)C[C@H]2OC(=O)C(=C)[C@H]12
InChI key: HREHFPZHVCNOMQ-YCIRREICSA-N
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