Tephrosin
HIT100206453
sdf文件结构编辑类似物检索
HIT ID: HIT100206453
Cas No: 76-80-2
分子式: C23H22O7
分子量: 410.422
常用名: Tephrosin
氢键受体数 (HBA): 7
氢键供体数 (HBD): 1
LogP: 2.713
IUPAC: (1R,14R)-14-hydroxy-17,18-dimethoxy-7,7-dimethyl-2,8,21-trioxapentacyclo[12.8.0.0^{3,12}.0^{4,9}.0^{15,20}]docosa-3(12),4(9),5,10,15,17,19-heptaen-13-one
IUPAC: (1R,14R)-14-hydroxy-17,18-dimethoxy-7,7-dimethyl-2,8,21-trioxapentacyclo[12.8.0.0^{3,12}.0^{4,9}.0^{15,20}]docosa-3(12),4(9),5,10,15,17,19-heptaen-13-one
SMILES: COc1cc2OC[C@H]3Oc4c(ccc5OC(C)(C)C=Cc45)C(=O)[C@@]3(O)c2cc1OC |c:18|
SMILES: COc1cc2OC[C@H]3Oc4c(ccc5OC(C)(C)C=Cc45)C(=O)[C@@]3(O)c2cc1OC |c:18|
InChI key: AQBZCCQCDWNNJQ-AUSIDOKSSA-N
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