| Properties | Image |
|---|
| MNX_ID | MNXM205066 |
 |
| reference | slm:000171459 |
| formula | C57H100O6 |
| global charge | 0 |
| mol weight | 881.421 |
| InChIKey | MIFIJCHVVASRCZ-XLWYRELXSA-N |
| InChI | InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h15-16,18-19,24-27,30,32,54H,4-14,17,20-23,28-29,31,33-53H2,1-3H3/b18-15-,19-16-,26-24-,27-25-,32-30-/t54-/m0/s1 |
| SMILES | CCCC/C=C\CCCCCCCC(=O)O[C@@H](COC(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCCCCCCCC/C=C\CCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C57H100O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h15-16,18-19,24-27,30,32,54H,4-14,17,20-23,28-29,31,33-53H2,1-3H3/b18-15-,19-16-,26-24-,27-25-,32-30-/t54-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH2:13]/[CH:16]=[CH:19]\[CH2:22]/[CH:24]=[CH:26]\[CH2:28]/[CH:30]=[CH:32]\[CH2:35][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][CH2:38][CH2:36][CH2:33][CH2:31][CH2:29]/[CH:27]=[CH:25]\[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][CH2:34][CH2:21]/[CH:18]=[CH:15]\[CH2:12][CH2:9][CH2:6][CH3:3])=[O:60] |
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