| Properties | Image |
|---|
| MNX_ID | MNXM1181477 |
 |
| reference | envipathM:...87840155dafd |
| formula | C31H42N2O6 |
| global charge | 0 |
| mol weight | 538.685 |
| InChIKey | ISNYUQWBWALXEY-MXHVQNHZSA-N |
| InChI | InChI=1S/C31H42N2O6/c1-18-16-32-19(2)25(18)26(35)38-20(3)22-8-9-30-23-7-6-21-14-29(36)11-10-27(21,4)31(23,39-29)24(34)15-28(22,30)17-33(5)12-13-37-30/h7-8,16,20-21,24,32,34,36H,6,9-15,17H2,1-5H3/t20?,21-,24-,27+,28?,29+,30+,31?/m1/s1 |
| SMILES | CC1=CNC(C)=C1C(=O)OC(C)C1=CC[C@@]23OCCN(C)CC12C[C@@H](O)C12O[C@@]4(O)CC[C@@]1(C)[C@H](CC=C23)C4 |
MNX internals
| InChI (mnx) | InChI=1/C31H42N2O6/c1-18-16-32-19(2)25(18)26(35)38-20(3)22-8-9-30-23-7-6-21-14-29(36)11-10-27(21,4)31(23,39-29)24(34)15-28(22,30)17-33(5)12-13-37-30/h7-8,16,20-21,24,32,34,36H,6,9-15,17H2,1-5H3/t20?,21-,24-,27+,28?,29+,30+,31?/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C:18]1=[CH:16][NH:32][C:19]([CH3:2])=[C:25]1[C:26](=[O:35])[O:38][CH:20]([CH3:3])[C:22]1=[CH:8][CH2:9][C@:30]23[C:23]4=[CH:7][CH2:6][C@@H:21]5[CH2:14][C@:29]6([OH:36])[CH2:11][CH2:10][C@:27]5([CH3:4])[C:31]4([C@H:24]([OH:34])[CH2:15][C:28]12[CH2:17][N:33]([CH3:5])[CH2:12][CH2:13][O:37]3)[O:39]6 |
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