4-Desmethyldecaline
HIT214318867
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HIT ID: HIT214318867
Cas No: 54422-29-6
分子式: C25H29NO5
分子量: 423.509
常用名: 4-Desmethyldecaline
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: 6-hydroxy-5-methoxy-2,18-dioxa-10-azapentacyclo[20.2.2.1^{9,17}.0^{3,8}.0^{10,15}]heptacosa-1(24),3,5,7,22,25-hexaen-19-one
IUPAC: 6-hydroxy-5-methoxy-2,18-dioxa-10-azapentacyclo[20.2.2.1^{9,17}.0^{3,8}.0^{10,15}]heptacosa-1(24),3,5,7,22,25-hexaen-19-one
SMILES: COc1cc2Oc3ccc(CCC(=O)OC4CC5CCCCN5C(C4)c2cc1O)cc3
SMILES: COc1cc2Oc3ccc(CCC(=O)OC4CC5CCCCN5C(C4)c2cc1O)cc3
InChI key: BNZQLMXVMRJEMM-UHFFFAOYSA-N
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