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, 11,12-Di-O-methylcarnosol
HIT218832690
sdf文件结构编辑类似物检索
HIT ID: HIT218832690
Cas No:
分子式: C22H30O4
分子量: 358.478
常用名: 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, 11,12-Di-O-methylcarnosol
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: 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(cc2C3CC4C(C)(C)CCCC4(C(=O)O3)c2c1OC)C(C)C
InChI key: BMUVJFGCCPHXOJ-UHFFFAOYSA-N
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