| Properties | Image |
|---|
| MNX_ID | MNXM45478 |
 |
| reference | chebi:3384 |
| formula | C23H28N2O6 |
| global charge | 0 |
| mol weight | 428.485 |
| InChIKey | QIZNWMMOECVGAP-GHTUMPRVSA-N |
| InChI | InChI=1S/C23H28N2O6/c1-12-14-10-25-6-5-23(20(25)7-13(14)15(11-31-12)21(26)30-4)16-8-18(28-2)19(29-3)9-17(16)24-22(23)27/h8-9,11-14,20H,5-7,10H2,1-4H3,(H,24,27)/t12-,13-,14-,20-,23+/m0/s1 |
| SMILES | COC(=O)C1=CO[C@@H](C)[C@@H]2CN3CC[C@]4(C(=O)NC5=C4C=C(OC)C(OC)=C5)[C@@H]3C[C@H]12 |
MNX internals
| InChI (mnx) | InChI=1/C23H28N2O6/c1-12-14-10-25-6-5-23(20(25)7-13(14)15(11-31-12)21(26)30-4)16-8-18(28-2)19(29-3)9-17(16)24-22(23)27/h8-9,11-14,20H,5-7,10H2,1-4H3,(H,24,27)/t12-,13-,14-,20-,23+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C@H:12]1[C@@H:14]2[CH2:10][N:25]3[CH2:6][CH2:5][C@@:23]4([C:16]5=[CH:8][C:18]([O:28][CH3:2])=[C:19]([O:29][CH3:3])[CH:9]=[C:17]5[N:24]=[C:22]4[OH:27])[C@@H:20]3[CH2:7][C@@H:13]2[C:15]([C:21](=[O:26])[O:30][CH3:4])=[CH:11][O:31]1 |
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