| Properties | Image |
|---|
| MNX_ID | MNXM276593 |
 |
| reference | slm:000167677 |
| formula | C57H94O6 |
| global charge | 0 |
| mol weight | 875.373 |
| InChIKey | JCMWPOJQJVNPDA-KTEKJEOKSA-N |
| InChI | InChI=1S/C57H94O6/c1-4-7-10-13-16-19-21-23-25-26-27-28-29-30-32-34-36-39-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-37-18-15-12-9-6-3)52-61-55(58)49-46-43-40-38-35-33-31-24-22-20-17-14-11-8-5-2/h16-17,19-20,23-25,27-28,30-32,35-36,38-39,54H,4-15,18,21-22,26,29,33-34,37,40-53H2,1-3H3/b19-16-,20-17-,25-23-,28-27-,31-24-,32-30-,38-35-,39-36-/t54-/m0/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)OC[C@H](COC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC)OC(=O)CCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C57H94O6/c1-4-7-10-13-16-19-21-23-25-26-27-28-29-30-32-34-36-39-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-37-18-15-12-9-6-3)52-61-55(58)49-46-43-40-38-35-33-31-24-22-20-17-14-11-8-5-2/h16-17,19-20,23-25,27-28,30-32,35-36,38-39,54H,4-15,18,21-22,26,29,33-34,37,40-53H2,1-3H3/b19-16-,20-17-,25-23-,28-27-,31-24-,32-30-,38-35-,39-36-/t54-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH2:13]/[CH:16]=[CH:19]\[CH2:21]/[CH:23]=[CH:25]\[CH2:26]/[CH:27]=[CH:28]\[CH2:29]/[CH:30]=[CH:32]\[CH2:34]/[CH:36]=[CH:39]\[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]/[CH:38]=[CH:35]\[CH2:33]/[CH:31]=[CH:24]\[CH2:22]/[CH:20]=[CH:17]\[CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:58])[O:63][C:57]([CH2:51][CH2:48][CH2:45][CH2:42][CH2:37][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:60] |
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