| Properties | Image |
|---|
| MNX_ID | MNXM30080 |
 |
| reference | chebi:10 |
| formula | C36H38N2O6 |
| global charge | 0 |
| mol weight | 594.708 |
| InChIKey | XGEAUXVPBXUBKN-NSOVKSMOSA-N |
| InChI | InChI=1S/C36H38N2O6/c1-37-13-11-23-18-31(41-3)32-20-26(23)27(37)15-21-5-8-25(9-6-21)43-30-17-22(7-10-29(30)39)16-28-34-24(12-14-38(28)2)19-33(42-4)35(40)36(34)44-32/h5-10,17-20,27-28,39-40H,11-16H2,1-4H3/t27-,28-/m0/s1 |
| SMILES | COC1=CC2=C3C=C1OC1=C(O)C(OC)=CC4=C1[C@H](CC1=CC=C(O)C(=C1)OC1=CC=C(C=C1)C[C@@H]3N(C)CC2)N(C)CC4 |
MNX internals
| InChI (mnx) | InChI=1/C36H38N2O6/c1-37-13-11-23-18-31(41-3)32-20-26(23)27(37)15-21-5-8-25(9-6-21)43-30-17-22(7-10-29(30)39)16-28-34-24(12-14-38(28)2)19-33(42-4)35(40)36(34)44-32/h5-10,17-20,27-28,39-40H,11-16H2,1-4H3/t27-,28-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][N:37]1[CH2:13][CH2:11][C:23]2=[CH:18][C:31]([O:41][CH3:3])=[C:32]3[CH:20]=[C:26]2[C@@H:27]1[CH2:15][C:21]1=[CH:6][CH:9]=[C:25]([CH:8]=[CH:5]1)[O:43][C:30]1=[CH:17][C:22](=[CH:7][CH:10]=[C:29]1[OH:39])[CH2:16][C@H:28]1[C:34]2=[C:36]([C:35]([OH:40])=[C:33]([O:42][CH3:4])[CH:19]=[C:24]2[CH2:12][CH2:14][N:38]1[CH3:2])[O:44]3 |
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