| Properties | Image |
|---|
| MNX_ID | MNXM1138132 |
 |
| reference | envipathM:...08ab82317374 |
| formula | C31H40N2O7 |
| global charge | 0 |
| mol weight | 552.668 |
| InChIKey | JHOBITLVZGGLJM-PNAHFQRBSA-N |
| InChI | InChI=1S/C31H40N2O7/c1-17-15-32-18(2)25(17)26(36)39-19(3)21-12-23(34)31-22-7-6-20-13-29(37)9-8-27(20,4)30(22,40-29)24(35)14-28(21,31)16-33(5)10-11-38-31/h7,12,15,19-20,23,32,34,37H,6,8-11,13-14,16H2,1-5H3/t19?,20-,23?,27+,28?,29+,30?,31-/m1/s1 |
| SMILES | CC1=CNC(C)=C1C(=O)OC(C)C1=CC(O)[C@@]23OCCN(C)CC12CC(=O)C12O[C@@]4(O)CC[C@@]1(C)[C@H](CC=C23)C4 |
MNX internals
| InChI (mnx) | InChI=1/C31H40N2O7/c1-17-15-32-18(2)25(17)26(36)39-19(3)21-12-23(34)31-22-7-6-20-13-29(37)9-8-27(20,4)30(22,40-29)24(35)14-28(21,31)16-33(5)10-11-38-31/h7,12,15,19-20,23,32,34,37H,6,8-11,13-14,16H2,1-5H3/t19?,20-,23?,27+,28?,29+,30?,31-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C:17]1=[CH:15][NH:32][C:18]([CH3:2])=[C:25]1[C:26](=[O:36])[O:39][CH:19]([CH3:3])[C:21]1=[CH:12][CH:23]([OH:34])[C@:31]23[C:22]4=[CH:7][CH2:6][C@@H:20]5[CH2:13][C@:29]6([OH:37])[CH2:9][CH2:8][C@:27]5([CH3:4])[C:30]4([C:24](=[O:35])[CH2:14][C:28]12[CH2:16][N:33]([CH3:5])[CH2:10][CH2:11][O:38]3)[O:40]6 |
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