| Properties | Image |
|---|
| MNX_ID | MNXM48751 |
 |
| reference | chebi:4319 |
| formula | C36H38N2O6 |
| global charge | 0 |
| mol weight | 594.708 |
| InChIKey | REKCBEFSIKOPTD-IZLXSDGUSA-N |
| InChI | InChI=1S/C36H38N2O6/c1-38-14-12-24-19-33(42-4)35(39)36-34(24)28(38)16-21-5-8-25(9-6-21)43-31-17-22(7-10-29(31)40-2)15-27-26-20-32(44-36)30(41-3)18-23(26)11-13-37-27/h5-10,17-20,27-28,37,39H,11-16H2,1-4H3/t27-,28+/m1/s1 |
| SMILES | COC1=CC2=C3C(=C1O)OC1=C(OC)C=C4CCN[C@H](CC5=CC(=C(OC)C=C5)OC5=CC=C(C=C5)C[C@@H]3N(C)CC2)C4=C1 |
MNX internals
| InChI (mnx) | InChI=1/C36H38N2O6/c1-38-14-12-24-19-33(42-4)35(39)36-34(24)28(38)16-21-5-8-25(9-6-21)43-31-17-22(7-10-29(31)40-2)15-27-26-20-32(44-36)30(41-3)18-23(26)11-13-37-27/h5-10,17-20,27-28,37,39H,11-16H2,1-4H3/t27-,28+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][N:38]1[CH2:14][CH2:12][C:24]2=[CH:19][C:33]([O:42][CH3:4])=[C:35]([OH:39])[C:36]3=[C:34]2[C@@H:28]1[CH2:16][C:21]1=[CH:6][CH:9]=[C:25]([CH:8]=[CH:5]1)[O:43][C:31]1=[CH:17][C:22](=[CH:7][CH:10]=[C:29]1[O:40][CH3:2])[CH2:15][C@@H:27]1[C:26]2=[CH:20][C:32](=[C:30]([O:41][CH3:3])[CH:18]=[C:23]2[CH2:11][CH2:13][NH:37]1)[O:44]3 |
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