Ascochlorin A
HIT214323568
sdf文件结构编辑类似物检索
HIT ID: HIT214323568
Cas No: 2550720-02-8
分子式: C23H31ClO4
分子量: 406.95
常用名: Ascochlorin A
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: 3-chloro-4,6-dihydroxy-5-[(2E)-5-[(1R,3S)-3-hydroxy-2,2-dimethyl-6-methylidenecyclohexyl]-3-methylpent-2-en-1-yl]-2-methylbenzaldehyde
IUPAC: 3-chloro-4,6-dihydroxy-5-[(2E)-5-[(1R,3S)-3-hydroxy-2,2-dimethyl-6-methylidenecyclohexyl]-3-methylpent-2-en-1-yl]-2-methylbenzaldehyde
SMILES: C\C(CC[C@@H]1C(=C)CC[C@H](O)C1(C)C)=C/Cc1c(O)c(Cl)c(C)c(C=O)c1O
SMILES: C\C(CC[C@@H]1C(=C)CC[C@H](O)C1(C)C)=C/Cc1c(O)c(Cl)c(C)c(C=O)c1O
InChI key: HQKVWXLIBNKFCS-OEAGFLSSSA-N
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