| Properties | Image |
|---|
| MNX_ID | MNXM337528 |
 |
| reference | slm:000167176 |
| formula | C57H94O6 |
| global charge | 0 |
| mol weight | 875.373 |
| InChIKey | WZCCNLBDLTYCAQ-HOGDMKCESA-N |
| InChI | InChI=1S/C57H94O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-30-31-33-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-32-23-20-17-14-11-8-5-2/h11,14-16,18-20,23-25,27-28,30-31,35,38,54H,4-10,12-13,17,21-22,26,29,32-34,36-37,39-53H2,1-3H3/b14-11-,18-15-,19-16-,23-20-,25-24-,28-27-,31-30-,38-35-/t54-/m1/s1 |
| SMILES | CCC/C=C\C/C=C\CCCCCCCC(=O)O[C@@H](COC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCCCCCC/C=C\CCCC |
MNX internals
| InChI (mnx) | InChI=1/C57H94O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-30-31-33-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-32-23-20-17-14-11-8-5-2/h11,14-16,18-20,23-25,27-28,30-31,35,38,54H,4-10,12-13,17,21-22,26,29,32-34,36-37,39-53H2,1-3H3/b14-11-,18-15-,19-16-,23-20-,25-24-,28-27-,31-30-,38-35-/t54-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH2:13]/[CH:16]=[CH:19]\[CH2:22]/[CH:24]=[CH:25]\[CH2:26]/[CH:27]=[CH:28]\[CH2:29]/[CH:30]=[CH:31]\[CH2:33]/[CH:35]=[CH:38]\[CH2:41][CH2:44][CH2:47][CH2:50][C:56](=[O:59])[O:62][CH2:53][C@@H:54]([CH2:52][O:61][C:55]([CH2:49][CH2:46][CH2:43][CH2:40][CH2:37][CH2:34][CH2:21]/[CH:18]=[CH:15]\[CH2:12][CH2:9][CH2:6][CH3:3])=[O:58])[O:63][C:57]([CH2:51][CH2:48][CH2:45][CH2:42][CH2:39][CH2:36][CH2:32]/[CH:23]=[CH:20]\[CH2:17]/[CH:14]=[CH:11]\[CH2:8][CH2:5][CH3:2])=[O:60] |
|