| Properties | Image |
|---|
| MNX_ID | MNXM352334 |
 |
| reference | slm:000170256 |
| formula | C57H98O6 |
| global charge | 0 |
| mol weight | 879.405 |
| InChIKey | BGBDHDFGCQLTPZ-WFTGHTKUSA-N |
| InChI | InChI=1S/C57H98O6/c1-4-7-10-13-16-19-21-23-25-26-27-28-29-30-32-33-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-34-31-24-22-20-17-14-11-8-5-2/h7,10,16,19,23,25,27-28,30,32,35,38,54H,4-6,8-9,11-15,17-18,20-22,24,26,29,31,33-34,36-37,39-53H2,1-3H3/b10-7-,19-16-,25-23-,28-27-,32-30-,38-35-/t54-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)OC[C@@H](COC(=O)CCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C57H98O6/c1-4-7-10-13-16-19-21-23-25-26-27-28-29-30-32-33-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-34-31-24-22-20-17-14-11-8-5-2/h7,10,16,19,23,25,27-28,30,32,35,38,54H,4-6,8-9,11-15,17-18,20-22,24,26,29,31,33-34,36-37,39-53H2,1-3H3/b10-7-,19-16-,25-23-,28-27-,32-30-,38-35-/t54-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:4]/[CH:7]=[CH:10]\[CH2:13]/[CH:16]=[CH:19]\[CH2:21]/[CH:23]=[CH:25]\[CH2:26]/[CH:27]=[CH:28]\[CH2:29]/[CH:30]=[CH:32]\[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][CH2:18][CH2:15][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][CH2:34][CH2:31][CH2:24][CH2:22][CH2:20][CH2:17][CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:60] |
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