| Properties | Image |
|---|
| MNX_ID | MNXM42620 |
 |
| reference | chebi:2842 |
| formula | C36H38N2O6 |
| global charge | 0 |
| mol weight | 594.708 |
| InChIKey | ZVVVPJJQRQNTAT-URLMMPGGSA-N |
| InChI | InChI=1S/C36H38N2O6/c1-37-13-11-23-18-32(41-3)33-19-26(23)28(37)16-22-7-10-30(39)31(17-22)43-24-8-5-21(6-9-24)15-29-27-20-34(44-33)35(40)36(42-4)25(27)12-14-38(29)2/h5-10,17-20,28-29,39-40H,11-16H2,1-4H3/t28-,29+/m0/s1 |
| SMILES | COC1=CC2=C3C=C1OC1=C(O)C(OC)=C4CCN(C)[C@H](CC5=CC=C(C=C5)OC5=C(O)C=CC(=C5)C[C@@H]3N(C)CC2)C4=C1 |
MNX internals
| InChI (mnx) | InChI=1/C36H38N2O6/c1-37-13-11-23-18-32(41-3)33-19-26(23)28(37)16-22-7-10-30(39)31(17-22)43-24-8-5-21(6-9-24)15-29-27-20-34(44-33)35(40)36(42-4)25(27)12-14-38(29)2/h5-10,17-20,28-29,39-40H,11-16H2,1-4H3/t28-,29+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][N:37]1[CH2:13][CH2:11][C:23]2=[CH:18][C:32]([O:41][CH3:3])=[C:33]3[CH:19]=[C:26]2[C@@H:28]1[CH2:16][C:22]1=[CH:7][CH:10]=[C:30]([OH:39])[C:31](=[CH:17]1)[O:43][C:24]1=[CH:9][CH:6]=[C:21]([CH:5]=[CH:8]1)[CH2:15][C@@H:29]1[C:27]2=[C:25]([CH2:12][CH2:14][N:38]1[CH3:2])[C:36]([O:42][CH3:4])=[C:35]([OH:40])[C:34](=[CH:20]2)[O:44]3 |
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