| Properties | Image |
|---|
| MNX_ID | MNXM109127 |
 |
| reference | chebi:66539 |
| formula | C28H27NO5 |
| global charge | 0 |
| mol weight | 457.526 |
| InChIKey | CUXXAUBWEIJETF-AMVLLGRPSA-N |
| InChI | InChI=1S/C28H27NO5/c1-32-24-16-15-23(19-25(24)33-2)26(34-28(31)18-14-22-11-7-4-8-12-22)20-29-27(30)17-13-21-9-5-3-6-10-21/h3-19,26H,20H2,1-2H3,(H,29,30)/b17-13+,18-14+/t26-/m1/s1 |
| SMILES | COC1=CC=C([C@@H](CNC(=O)/C=C/C2=CC=CC=C2)OC(=O)/C=C/C2=CC=CC=C2)C=C1OC |
MNX internals
| InChI (mnx) | InChI=1/C28H27NO5/c1-32-24-16-15-23(19-25(24)33-2)26(34-28(31)18-14-22-11-7-4-8-12-22)20-29-27(30)17-13-21-9-5-3-6-10-21/h3-19,26H,20H2,1-2H3,(H,29,30)/b17-13+,18-14+/t26-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][O:32][C:24]1=[C:25]([O:33][CH3:2])[CH:19]=[C:23]([C@@H:26]([CH2:20]/[N:29]=[C:27](/[CH:17]=[CH:13]/[C:21]2=[CH:9][CH:5]=[CH:3][CH:6]=[CH:10]2)[OH:30])[O:34][C:28](/[CH:18]=[CH:14]/[C:22]2=[CH:11][CH:7]=[CH:4][CH:8]=[CH:12]2)=[O:31])[CH:15]=[CH:16]1 |
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