| Properties | Image |
|---|
| MNX_ID | MNXM191709 |
 |
| reference | slm:000172205 |
| formula | C57H100O6 |
| global charge | 0 |
| mol weight | 881.421 |
| InChIKey | PVKWTYYHFVKXFV-JQPCOEKASA-N |
| InChI | InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,18-19,21-22,27,30,35,38,54H,4-8,10-11,13-17,20,23-26,28-29,31-34,36-37,39-53H2,1-3H3/b12-9-,21-18-,22-19+,30-27-,38-35-/t54-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)O[C@@H](COC(=O)CCCC/C=C\CCCCCCCCCCC)COC(=O)CCCCCCCCC/C=C/CCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C57H100O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,18-19,21-22,27,30,35,38,54H,4-8,10-11,13-17,20,23-26,28-29,31-34,36-37,39-53H2,1-3H3/b12-9-,21-18-,22-19+,30-27-,38-35-/t54-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH2:13][CH2:16]/[CH:19]=[CH:22]/[CH2:25][CH2:28][CH2:31][CH2:34][CH2:37][CH2:40][CH2:43][CH2:46][CH2:49][C:55](=[O:58])[O:61][CH2:52][C@H:54]([CH2:53][O:62][C:56]([CH2:50][CH2:47][CH2:44][CH2:41]/[CH:38]=[CH:35]\[CH2:32][CH2:29][CH2:26][CH2:23][CH2:20][CH2:17][CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:59])[O:63][C:57]([CH2:51][CH2:48][CH2:45][CH2:42][CH2:39][CH2:36][CH2:33]/[CH:30]=[CH:27]\[CH2:24]/[CH:21]=[CH:18]\[CH2:15]/[CH:12]=[CH:9]\[CH2:6][CH3:3])=[O:60] |
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