(6aR,10aR)-9-(hydroxymethyl)-6,6-dimethyl-3-pentyl-6aH,7H,10H,10aH-benzo[c]isochromen-1-ol
HIT218686653
sdf文件结构编辑类似物检索
HIT ID: HIT218686653
Cas No: 28646-40-4
分子式: C21H30O3
分子量: 330.468
常用名: (6aR,10aR)-9-(hydroxymethyl)-6,6-dimethyl-3-pentyl-6aH,7H,10H,10aH-benzo[c]isochromen-1-ol
常用名: (6aR,10aR)-9-(hydroxymethyl)-6,6-dimethyl-3-pentyl-6aH,7H,10H,10aH-benzo[c]isochromen-1-ol
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (6aR,10aR)-9-(hydroxymethyl)-6,6-dimethyl-3-pentyl-6H,6aH,7H,10H,10aH-benzo[c]isochromen-1-ol
IUPAC: (6aR,10aR)-9-(hydroxymethyl)-6,6-dimethyl-3-pentyl-6H,6aH,7H,10H,10aH-benzo[c]isochromen-1-ol
SMILES: CCCCCc1cc(O)c2[C@@H]3CC(CO)=CC[C@H]3C(C)(C)Oc2c1
SMILES: CCCCCc1cc(O)c2[C@@H]3CC(CO)=CC[C@H]3C(C)(C)Oc2c1
InChI key: LOUSQMWLMDHRIK-IAGOWNOFSA-N
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