| Properties | Image |
|---|
| MNX_ID | MNXM45197 |
 |
| reference | chebi:3300 |
| formula | C38H40N2O7 |
| global charge | 0 |
| mol weight | 636.745 |
| InChIKey | VQYWPFJBVAHLLO-GDLZYMKVSA-N |
| InChI | InChI=1S/C38H40N2O7/c1-40-16-14-24-20-33(43-4)36(45-6)38-34(24)29(40)18-25-9-12-30(41-2)37(35(25)44-5)46-26-10-7-22(8-11-26)17-28-27-21-32(47-38)31(42-3)19-23(27)13-15-39-28/h7-12,19-21,29H,13-18H2,1-6H3/t29-/m1/s1 |
| SMILES | COC1=CC2=C3C=C1OC1=C(OC)C(OC)=CC4=C1[C@@H](CC1=CC=C(OC)C(=C1OC)OC1=CC=C(C=C1)CC3=NCC2)N(C)CC4 |
MNX internals
| InChI (mnx) | InChI=1/C38H40N2O7/c1-40-16-14-24-20-33(43-4)36(45-6)38-34(24)29(40)18-25-9-12-30(41-2)37(35(25)44-5)46-26-10-7-22(8-11-26)17-28-27-21-32(47-38)31(42-3)19-23(27)13-15-39-28/h7-12,19-21,29H,13-18H2,1-6H3/t29-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][N:40]1[CH2:16][CH2:14][C:24]2=[CH:20][C:33]([O:43][CH3:4])=[C:36]([O:45][CH3:6])[C:38]3=[C:34]2[C@H:29]1[CH2:18][C:25]1=[CH:9][CH:12]=[C:30]([O:41][CH3:2])[C:37](=[C:35]1[O:44][CH3:5])[O:46][C:26]1=[CH:11][CH:8]=[C:22]([CH:7]=[CH:10]1)[CH2:17][C:28]1=[N:39][CH2:15][CH2:13][C:23]2=[CH:19][C:31]([O:42][CH3:3])=[C:32]([CH:21]=[C:27]21)[O:47]3 |
|