山竹醇
3-[(3,4-Dihydroxyphenyl)-hydroxymethylidene]-6,6-dimethyl-5,7-bis(3-methylbut-2-enyl)-1-(5-methyl-2-prop-1-en-2-ylhex-4-enyl)bicyclo[3.3.1]nonane-2,4,9-trione · CAS 78824-30-3
- 中文名
- 山竹醇
- 中文别名
- 暂无
- 英文名
- 3-[(3,4-Dihydroxyphenyl)-hydroxymethylidene]-6,6-dimethyl-5,7-bis(3-methylbut-2-enyl)-1-(5-methyl-2-prop-1-en-2-ylhex-4-enyl)bicyclo[3.3.1]nonane-2,4,9-trione
- CAS
- 78824-30-3
- CID
- 3531
- IUPAC 名称
- 3-[(3,4-dihydroxyphenyl)-hydroxymethylidene]-6,6-dimethyl-5,7-bis(3-methylbut-2-enyl)-1-(5-methyl-2-prop-1-en-2-ylhex-4-enyl)bicyclo[3.3.1]nonane-2,4,9-trione
名称与编号
- 中文名
- 山竹醇
- 中文别名
- 暂无
- 英文名
- 3-[(3,4-Dihydroxyphenyl)-hydroxymethylidene]-6,6-dimethyl-5,7-bis(3-methylbut-2-enyl)-1-(5-methyl-2-prop-1-en-2-ylhex-4-enyl)bicyclo[3.3.1]nonane-2,4,9-trione
- CAS
- 78824-30-3
- CID
- 3531
- IUPAC 名称
- 3-[(3,4-dihydroxyphenyl)-hydroxymethylidene]-6,6-dimethyl-5,7-bis(3-methylbut-2-enyl)-1-(5-methyl-2-prop-1-en-2-ylhex-4-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
- 10.3
- 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
- 1300
结构标识
- InChIKey
- DTTONLKLWRTCAB-UHFFFAOYSA-N
- SMILES
- CC(=CCC1CC2(C(=O)C(=C(C3=CC(=C(C=C3)O)O)O)C(=O)C(C2=O)(C1(C)C)CC=C(C)C)CC(CC=C(C)C)C(=C)C)C
- InChI
- InChI=1S/C38H50O6/c1-22(2)11-13-27(25(7)8)20-37-21-28(15-12-23(3)4)36(9,10)38(35(37)44,18-17-24(5)6)34(43)31(33(37)42)32(41)26-14-16-29(39)30(40)19-26/h11-12,14,16-17,19,27-28,39-41H,7,13,15,18,20-21H2,1-6,8-10H3