| Properties | Image |
|---|
| MNX_ID | MNXM106061 |
 |
| reference | chebi:68092 |
| formula | C24H26N2O7 |
| global charge | 0 |
| mol weight | 454.479 |
| InChIKey | VOHFPFMHDXIAOK-FDUHJNRSSA-N |
| InChI | InChI=1S/C24H26N2O7/c1-31-19(28)16-14-22-9-8-18(27)25(22)13-12-23(20(29)32-2)15-6-4-5-7-17(15)26(21(30)33-3)24(16,23)11-10-22/h4-9,16H,10-14H2,1-3H3/t16-,22+,23+,24+/m0/s1 |
| SMILES | COC(=O)[C@@H]1C[C@]23C=CC(=O)N2CC[C@]2(C(=O)OC)C4=C(C=CC=C4)N(C(=O)OC)[C@]12CC3 |
MNX internals
| InChI (mnx) | InChI=1/C24H26N2O7/c1-31-19(28)16-14-22-9-8-18(27)25(22)13-12-23(20(29)32-2)15-6-4-5-7-17(15)26(21(30)33-3)24(16,23)11-10-22/h4-9,16H,10-14H2,1-3H3/t16-,22+,23+,24+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][O:31][C:19]([C@@H:16]1[CH2:14][C@:22]23[CH:9]=[CH:8][C:18](=[O:27])[N:25]2[CH2:13][CH2:12][C@:23]2([C:20](=[O:29])[O:32][CH3:2])[C:15]4=[CH:6][CH:4]=[CH:5][CH:7]=[C:17]4[N:26]([C:21](=[O:30])[O:33][CH3:3])[C@:24]12[CH2:11][CH2:10]3)=[O:28] |
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