Ajugamarin H1
HIT214313388
sdf文件结构编辑类似物检索
HIT ID: HIT214313388
Cas No: 122616-88-0
分子式: C34H48O11
分子量: 632.747
常用名: Ajugamarin H1
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (1S)-2-[(4R,4aR,5S,6R,8S,8aR)-8-(acetyloxy)-8a-[(acetyloxy)methyl]-5,6-dimethyl-4-{[(2S)-2-methylbutanoyl]oxy}-octahydro-2H-spiro[naphthalene-1,2'-oxiran]-5-yl]-1-(5-oxo-2,5-dihydrofuran-3-yl)ethyl (2E)-2-methylbut-2-enoate
IUPAC: (1S)-2-[(4R,4aR,5S,6R,8S,8aR)-8-(acetyloxy)-8a-[(acetyloxy)methyl]-5,6-dimethyl-4-{[(2S)-2-methylbutanoyl]oxy}-octahydro-2H-spiro[naphthalene-1,2'-oxiran]-5-yl]-1-(5-oxo-2,5-dihydrofuran-3-yl)ethyl (2E)-2-methylbut-2-enoate
SMILES: CC[C@H](C)C(=O)O[C@@H]1CCC2(CO2)[C@]2(COC(C)=O)[C@H](C[C@@H](C)[C@](C)(C[C@H](OC(=O)C(\C)=C\C)C3=CC(=O)OC3)[C@@H]12)OC(C)=O |t:35|
SMILES: CC[C@H](C)C(=O)O[C@@H]1CCC2(CO2)[C@]2(COC(C)=O)[C@H](C[C@@H](C)[C@](C)(C[C@H](OC(=O)C(\C)=C\C)C3=CC(=O)OC3)[C@@H]12)OC(C)=O |t:35|
InChI key: YUTIPMUBYJJHKA-CKTDTYOHSA-N
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