| Properties | Image |
|---|
| MNX_ID | MNXM104305 |
 |
| reference | chebi:65748 |
| formula | C38H40N2O8 |
| global charge | 0 |
| mol weight | 652.744 |
| InChIKey | XFSOIGVOVJTBKR-ISCMDCNBSA-N |
| InChI | InChI=1S/C38H40N2O8/c1-45-27-18-16-26(17-19-27)38-31(24-12-6-4-7-13-24)33(35(42)40-21-11-10-20-39-34(41)25-14-8-5-9-15-25)37(44,36(38)43)32-29(47-3)22-28(46-2)23-30(32)48-38/h4-9,12-19,22-23,31,33,36,43-44H,10-11,20-21H2,1-3H3,(H,39,41)(H,40,42)/t31-,33+,36+,37-,38-/m0/s1 |
| SMILES | COC1=CC=C([C@@]23OC4=CC(OC)=CC(OC)=C4[C@@](O)([C@H]2O)[C@@H](C(=O)NCCCCNC(=O)C2=CC=CC=C2)[C@@H]3C2=CC=CC=C2)C=C1 |
MNX internals
| InChI (mnx) | InChI=1/C38H40N2O8/c1-45-27-18-16-26(17-19-27)38-31(24-12-6-4-7-13-24)33(35(42)40-21-11-10-20-39-34(41)25-14-8-5-9-15-25)37(44,36(38)43)32-29(47-3)22-28(46-2)23-30(32)48-38/h4-9,12-19,22-23,31,33,36,43-44H,10-11,20-21H2,1-3H3,(H,39,41)(H,40,42)/t31-,33+,36+,37-,38-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][O:45][C:27]1=[CH:19][CH:17]=[C:26]([C@@:38]23[C@@H:31]([C:24]4=[CH:12][CH:6]=[CH:4][CH:7]=[CH:13]4)[C@H:33]([C:35](=[N:40][CH2:21][CH2:11][CH2:10][CH2:20][N:39]=[C:34]([C:25]4=[CH:14][CH:8]=[CH:5][CH:9]=[CH:15]4)[OH:41])[OH:42])[C@@:37]([OH:44])([C:32]4=[C:29]([O:47][CH3:3])[CH:22]=[C:28]([O:46][CH3:2])[CH:23]=[C:30]4[O:48]2)[C@H:36]3[OH:43])[CH:16]=[CH:18]1 |
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