[7-Hydroxy-3'-(hydroxymethyl)-4',4'-dimethyl-10-methylidene-2,11-dioxospiro[3-oxatricyclo[7.2.1.01,6]dodecane-5,2'-cyclohexane]-1'-yl] acetate
[7-Hydroxy-3'-(hydroxymethyl)-4',4'-dimethyl-10-methylidene-2,11-dioxospiro[3-oxatricyclo[7.2.1.01,6]dodecane-5,2'-cyclohexane]-1'-yl] acetate · CAS 675603-39-1
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- [7-Hydroxy-3'-(hydroxymethyl)-4',4'-dimethyl-10-methylidene-2,11-dioxospiro[3-oxatricyclo[7.2.1.01,6]dodecane-5,2'-cyclohexane]-1'-yl] acetate
- CAS
- 675603-39-1
- CID
- 13919287
- IUPAC 名称
- [7-hydroxy-3'-(hydroxymethyl)-4',4'-dimethyl-10-methylidene-2,11-dioxospiro[3-oxatricyclo[7.2.1.01,6]dodecane-5,2'-cyclohexane]-1'-yl] acetate
名称与编号
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- [7-Hydroxy-3'-(hydroxymethyl)-4',4'-dimethyl-10-methylidene-2,11-dioxospiro[3-oxatricyclo[7.2.1.01,6]dodecane-5,2'-cyclohexane]-1'-yl] acetate
- CAS
- 675603-39-1
- CID
- 13919287
- IUPAC 名称
- [7-hydroxy-3'-(hydroxymethyl)-4',4'-dimethyl-10-methylidene-2,11-dioxospiro[3-oxatricyclo[7.2.1.01,6]dodecane-5,2'-cyclohexane]-1'-yl] acetate
分子属性
- 分子式
- C22H30O7
- 分子量
- 406.5 g/mol
- 精确质量
- 406.19915329 Da
- 单同位素质量
- 406.19915329 Da
- XLogP
- 1.6
- 极性表面积
- 110 Ų
- 氢键供体
- 2
- 氢键受体
- 7
- 可旋转键
- 3
- 重原子数
- 29
- 净电荷
- 0
- 结构复杂度
- 786
结构标识
- InChIKey
- PFPNLISKAPWUFU-UHFFFAOYSA-N
- SMILES
- CC(=O)OC1CCC(C(C12COC(=O)C34C2C(CC(C3)C(=C)C4=O)O)CO)(C)C
- InChI
- InChI=1S/C22H30O7/c1-11-13-7-14(25)17-21(8-13,18(11)26)19(27)28-10-22(17)15(9-23)20(3,4)6-5-16(22)29-12(2)24/h13-17,23,25H,1,5-10H2,2-4H3