Senecionanium, 12-(acetyloxy)-14,15,20,21-tetradehydro-15,20-dihydro-8-hydroxy-4-methyl-11,16-dioxo-, (8xi,12beta,14Z)-
Senecionanium, 12-(acetyloxy)-14,15,20,21-tetradehydro-15,20-dihydro-8-hydroxy-4-methyl-11,16-dioxo-, (8xi,12beta,14Z)- · CAS 33979-15-6
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- Senecionanium, 12-(acetyloxy)-14,15,20,21-tetradehydro-15,20-dihydro-8-hydroxy-4-methyl-11,16-dioxo-, (8xi,12beta,14Z)-
- CAS
- 33979-15-6
- CID
- 5363807
- IUPAC 名称
- [(4Z)-4-ethenyl-17-hydroxy-6,7,14-trimethyl-3,8-dioxo-2,9-dioxa-14-azoniatricyclo[9.5.1.014,17]heptadeca-4,11-dien-7-yl] acetate
名称与编号
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- Senecionanium, 12-(acetyloxy)-14,15,20,21-tetradehydro-15,20-dihydro-8-hydroxy-4-methyl-11,16-dioxo-, (8xi,12beta,14Z)-
- CAS
- 33979-15-6
- CID
- 5363807
- IUPAC 名称
- [(4Z)-4-ethenyl-17-hydroxy-6,7,14-trimethyl-3,8-dioxo-2,9-dioxa-14-azoniatricyclo[9.5.1.014,17]heptadeca-4,11-dien-7-yl] acetate
分子属性
- 分子式
- C21H28NO7+
- 分子量
- 406.4 g/mol
- 精确质量
- 406.18657723 Da
- 单同位素质量
- 406.18657723 Da
- XLogP
- 0.9
- 极性表面积
- 99.1 Ų
- 氢键供体
- 1
- 氢键受体
- 7
- 可旋转键
- 3
- 重原子数
- 29
- 净电荷
- 1
- 结构复杂度
- 831
结构标识
- InChIKey
- NEHWGXHBNGZJNY-PTNGSMBKSA-N
- SMILES
- CC1/C=C(\C(=O)OC2CC[N+]3(C2(C(=CC3)COC(=O)C1(C)OC(=O)C)O)C)/C=C
- InChI
- InChI=1S/C21H28NO7/c1-6-15-11-13(2)20(4,29-14(3)23)19(25)27-12-16-7-9-22(5)10-8-17(21(16,22)26)28-18(15)24/h6-7,11,13,17,26H,1,8-10,12H2,2-5H3/q+1/b15-11-