柠檬提取物
Angelica polyclada tincture · CAS 84929-31-7
- 中文名
- 柠檬提取物
- 中文别名
- 暂无
- 英文名
- Angelica polyclada tincture
- CAS
- 84929-31-7
- CID
- 168009840
- IUPAC 名称
- N-[[4-(3H-indol-5-yl)phenyl]methyl]-N-(3-prop-1-enylphenyl)cyclohexanecarboxamide;N-[[4-(2-methyl-1,3-benzoxazol-6-yl)phenyl]methyl]-N-(3-prop-1-enylphenyl)cyclohexanecarboxamide;methyl 3-[3-[cyclohexanecarbonyl-[[4-(2,3-dihydro-1,4-benzodioxin-6-yl)phenyl]methyl]amino]phenyl]prop-2-enoate;methyl 3-[3-[cyclohexanecarbonyl-[[4-(3,4-dihydro-2H-1,4-benzothiazin-7-yl)phenyl]methyl]amino]phenyl]prop-2-enoate;methyl 3-[3-[cyclohexanecarbonyl-[[4-(3,4-dihydro-2H-1,4-benzoxazin-7-yl)phenyl]methyl]amino]phenyl]prop-2-enoate;methyl 3-[3-[cyclohexanecarbonyl-[[4-(1,1-dioxo-3,4-dihydro-2H-1lambda6,4-benzothiazin-7-yl)phenyl]methyl]amino]phenyl]prop-2-enoate;methyl 3-[3-[cyclohexanecarbonyl-[(4-quinoxalin-6-ylphenyl)methyl]amino]phenyl]prop-2-enoate
名称与编号
- 中文名
- 柠檬提取物
- 中文别名
- 暂无
- 英文名
- Angelica polyclada tincture
- CAS
- 84929-31-7
- CID
- 168009840
- IUPAC 名称
- N-[[4-(3H-indol-5-yl)phenyl]methyl]-N-(3-prop-1-enylphenyl)cyclohexanecarboxamide;N-[[4-(2-methyl-1,3-benzoxazol-6-yl)phenyl]methyl]-N-(3-prop-1-enylphenyl)cyclohexanecarboxamide;methyl 3-[3-[cyclohexanecarbonyl-[[4-(2,3-dihydro-1,4-benzodioxin-6-yl)phenyl]methyl]amino]phenyl]prop-2-enoate;methyl 3-[3-[cyclohexanecarbonyl-[[4-(3,4-dihydro-2H-1,4-benzothiazin-7-yl)phenyl]methyl]amino]phenyl]prop-2-enoate;methyl 3-[3-[cyclohexanecarbonyl-[[4-(3,4-dihydro-2H-1,4-benzoxazin-7-yl)phenyl]methyl]amino]phenyl]prop-2-enoate;methyl 3-[3-[cyclohexanecarbonyl-[[4-(1,1-dioxo-3,4-dihydro-2H-1lambda6,4-benzothiazin-7-yl)phenyl]methyl]amino]phenyl]prop-2-enoate;methyl 3-[3-[cyclohexanecarbonyl-[(4-quinoxalin-6-ylphenyl)methyl]amino]phenyl]prop-2-enoate
分子属性
- 分子式
- C222H230N14O23S2
- 分子量
- 3526 g/mol
- 精确质量
- 3525.67668166 Da
- 单同位素质量
- 3523.66997199 Da
- XLogP
- 暂无
- 极性表面积
- 469 Ų
- 氢键供体
- 3
- 氢键受体
- 31
- 可旋转键
- 52
- 重原子数
- 261
- 净电荷
- 0
- 结构复杂度
- 5620
结构标识
- InChIKey
- RSEKYLFCZNOVCI-UHFFFAOYSA-N
- SMILES
- CC=CC1=CC(=CC=C1)N(CC2=CC=C(C=C2)C3=CC4=C(C=C3)N=CC4)C(=O)C5CCCCC5.CC=CC1=CC(=CC=C1)N(CC2=CC=C(C=C2)C3=CC4=C(C=C3)N=C(O4)C)C(=O)C5CCCCC5.COC(=O)C=CC1=CC(=CC=C1)N(CC2=CC=C(C=C2)C3=CC4=C(C=C3)NCCO4)C(=O)C5CCCCC5.COC(=O)C=CC1=CC(=CC=C1)N(CC2=CC=C(C=C2)C3=CC4=C(C=C3)OCCO4)C(=O)C5CCCCC5.COC(=O)C=CC1=CC(=CC=C1)N(CC2=CC=C(C=C2)C3=CC4=C(C=C3)NCCS4)C(=O)C5CCCCC5.COC(=O)C=CC1=CC(=CC=C1)N(CC2=CC=C(C=C2)C3=CC
- InChI
- InChI=1S/C32H31N3O3.C32H34N2O5S.C32H34N2O4.C32H34N2O3S.C32H33NO5.C31H32N2O2.C31H32N2O/c1-38-31(36)17-12-23-6-5-9-28(20-23)35(32(37)26-7-3-2-4-8-26)22-24-10-13-25(14-11-24)27-15-16-29-30(21-27)34-19-18-33-29;1-39-31(35)17-12-23-6-5-9-28(20-23)34(32(36)26-7-3-2-4-8-26)22-24-10-13-25(14-11-24)27-15-16-29-30(21-27)40(37,38)19-18-33-29;2*1-37-31(35)17-12-23-6-5-9-28(20-23)34(32(36)26-7-3-2-4-8-26)22-24-10-13-25(14-11-24)27-15-16-29-30(21-27)38-19-18-33-29;1-36-31(34)17-12-23-6-5-9-28(20-23)33(32(35)26-7-3-2-4-8-26)22-24-10-13-25(14-11-24)27-15-16-29-30(21-27)38-19-18-37-29;1-3-8-23-9-7-12-28(19-23)33(31(34)26-10-5-4-6-11-26)21-24-13-15-25(16-14-24)27-17-18-29-30(20-27)35-22(2)32-29;1-2-7-23-8-6-11-29(20-23)33(31(34)26-9-4-3-5-10-26)22-24-12-14-25(15-13-24)27-16-17-30-28(21-27)18-19-32-30/h5-6,9-21,26H,2-4,7-8,22H2,1H3;5-6,9-17,20-21,26,33H,2-4,7-8,18-19,22H2,1H3;2*5-6,9-17,20-21,26,33H,2-4,7-8,18-19,22H2,1H3;5-6,9-17,20-21,26H,2-4,7-8,18-19,22H2,1H3;3,7-9,12-20,26H,4-6,10-11,21H2,1-2H3;2,6-8,11-17,19-21,26H,3-5,9-