3-Methyl-2-butenoic acid [8-hydroxymethyl-1,5-dimethyl-5-(4-methyl-3-pentenyl)-12-oxabicyclo[9.1.0]dodeca-3,7-dien-2-yl] ester
3-Methyl-2-butenoic acid [8-hydroxymethyl-1,5-dimethyl-5-(4-methyl-3-pentenyl)-12-oxabicyclo[9.1.0]dodeca-3,7-dien-2-yl] ester · CAS 72506-14-0
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- 3-Methyl-2-butenoic acid [8-hydroxymethyl-1,5-dimethyl-5-(4-methyl-3-pentenyl)-12-oxabicyclo[9.1.0]dodeca-3,7-dien-2-yl] ester
- CAS
- 72506-14-0
- CID
- 90475588
- IUPAC 名称
- [(3Z,7E)-8-(hydroxymethyl)-1,5-dimethyl-5-(4-methylpent-3-enyl)-12-oxabicyclo[9.1.0]dodeca-3,7-dien-2-yl] 3-methylbut-2-enoate
名称与编号
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- 3-Methyl-2-butenoic acid [8-hydroxymethyl-1,5-dimethyl-5-(4-methyl-3-pentenyl)-12-oxabicyclo[9.1.0]dodeca-3,7-dien-2-yl] ester
- CAS
- 72506-14-0
- CID
- 90475588
- IUPAC 名称
- [(3Z,7E)-8-(hydroxymethyl)-1,5-dimethyl-5-(4-methylpent-3-enyl)-12-oxabicyclo[9.1.0]dodeca-3,7-dien-2-yl] 3-methylbut-2-enoate
分子属性
- 分子式
- C25H38O4
- 分子量
- 402.6 g/mol
- 精确质量
- 402.27700969 Da
- 单同位素质量
- 402.27700969 Da
- XLogP
- 5.5
- 极性表面积
- 59.1 Ų
- 氢键供体
- 1
- 氢键受体
- 4
- 可旋转键
- 7
- 重原子数
- 29
- 净电荷
- 0
- 结构复杂度
- 706
结构标识
- InChIKey
- FUGMARDYCOVINL-UHHANTDWSA-N
- SMILES
- CC(=CCCC/1(C/C=C(\CCC2C(O2)(C(/C=C1)OC(=O)C=C(C)C)C)/CO)C)C
- InChI
- InChI=1S/C25H38O4/c1-18(2)8-7-13-24(5)14-11-20(17-26)9-10-22-25(6,29-22)21(12-15-24)28-23(27)16-19(3)4/h8,11-12,15-16,21-22,26H,7,9-10,13-14,17H2,1-6H3/b15-12-,20-11+