3-[(3,4-Dihydroxyphenyl)-hydroxymethylidene]-6-methyl-1,5,7-tris(3-methylbut-2-enyl)-6-(4-methylpent-3-enyl)bicyclo[3.3.1]nonane-2,4,9-trione
3-[(3,4-Dihydroxyphenyl)-hydroxymethylidene]-6-methyl-1,5,7-tris(3-methylbut-2-enyl)-6-(4-methylpent-3-enyl)bicyclo[3.3.1]nonane-2,4,9-trione · CAS 147687-34-1
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- 3-[(3,4-Dihydroxyphenyl)-hydroxymethylidene]-6-methyl-1,5,7-tris(3-methylbut-2-enyl)-6-(4-methylpent-3-enyl)bicyclo[3.3.1]nonane-2,4,9-trione
- CAS
- 147687-34-1
- CID
- 3527
- IUPAC 名称
- 3-[(3,4-dihydroxyphenyl)-hydroxymethylidene]-6-methyl-1,5,7-tris(3-methylbut-2-enyl)-6-(4-methylpent-3-enyl)bicyclo[3.3.1]nonane-2,4,9-trione
名称与编号
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- 3-[(3,4-Dihydroxyphenyl)-hydroxymethylidene]-6-methyl-1,5,7-tris(3-methylbut-2-enyl)-6-(4-methylpent-3-enyl)bicyclo[3.3.1]nonane-2,4,9-trione
- CAS
- 147687-34-1
- CID
- 3527
- IUPAC 名称
- 3-[(3,4-dihydroxyphenyl)-hydroxymethylidene]-6-methyl-1,5,7-tris(3-methylbut-2-enyl)-6-(4-methylpent-3-enyl)bicyclo[3.3.1]nonane-2,4,9-trione
分子属性
- 分子式
- C38H50O6
- 分子量
- 602.8 g/mol
- 精确质量
- 602.36073931 Da
- 单同位素质量
- 602.36073931 Da
- XLogP
- 10.4
- 极性表面积
- 112 Ų
- 氢键供体
- 3
- 氢键受体
- 6
- 可旋转键
- 10
- 重原子数
- 44
- 净电荷
- 0
- 结构复杂度
- 1290
结构标识
- InChIKey
- SHBMQWRFQJLYJU-UHFFFAOYSA-N
- SMILES
- CC(=CCCC1(C(CC2(C(=O)C(=C(C3=CC(=C(C=C3)O)O)O)C(=O)C1(C2=O)CC=C(C)C)CC=C(C)C)CC=C(C)C)C)C
- InChI
- InChI=1S/C38H50O6/c1-23(2)11-10-18-36(9)28(14-12-24(3)4)22-37(19-16-25(5)6)33(42)31(32(41)27-13-15-29(39)30(40)21-27)34(43)38(36,35(37)44)20-17-26(7)8/h11-13,15-17,21,28,39-41H,10,14,18-20,22H2,1-9H3