9-hydroxy-5-isopropyl-3,4-dimethoxy-11,11-dimethyl-16-oxatetracyclo[6.6.2.0^{1,10}.0^{2,7}]hexadeca-2,4,6-trien-15-one, Dimethyl isorosmanol
HIT218832695
sdf文件结构编辑类似物检索
HIT ID: HIT218832695
Cas No:
分子式: C22H30O5
分子量: 374.477
常用名: 9-hydroxy-5-isopropyl-3,4-dimethoxy-11,11-dimethyl-16-oxatetracyclo[6.6.2.0^{1,10}.0^{2,7}]hexadeca-2,4,6-trien-15-one, Dimethyl isorosmanol
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: 9-hydroxy-3,4-dimethoxy-11,11-dimethyl-5-(propan-2-yl)-16-oxatetracyclo[6.6.2.0^{1,10}.0^{2,7}]hexadeca-2,4,6-trien-15-one
SMILES: COc1c(cc2C3OC(=O)C4(CCCC(C)(C)C4C3O)c2c1OC)C(C)C
InChI key: PDASRADGYGKBBS-UHFFFAOYSA-N
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