| Properties | Image |
|---|
| MNX_ID | MNXM187264 |
 |
| reference | slm:000159326 |
| formula | C56H92O6 |
| global charge | 0 |
| mol weight | 861.346 |
| InChIKey | XGSMHAAXOWHITO-ZCMXNVKGSA-N |
| InChI | InChI=1S/C56H92O6/c1-5-7-9-11-13-15-17-19-21-22-23-24-26-27-29-31-35-39-43-47-54(57)60-50-53(51-61-55(58)48-44-40-37-33-34-38-42-46-52(3)4)62-56(59)49-45-41-36-32-30-28-25-20-18-16-14-12-10-8-6-2/h13-16,19-21,23-25,27,29-30,32,35,39,52-53H,5-12,17-18,22,26,28,31,33-34,36-38,40-51H2,1-4H3/b15-13-,16-14-,21-19-,24-23-,25-20-,29-27-,32-30-,39-35-/t53-/m0/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)OC[C@@H](COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C56H92O6/c1-5-7-9-11-13-15-17-19-21-22-23-24-26-27-29-31-35-39-43-47-54(57)60-50-53(51-61-55(58)48-44-40-37-33-34-38-42-46-52(3)4)62-56(59)49-45-41-36-32-30-28-25-20-18-16-14-12-10-8-6-2/h13-16,19-21,23-25,27,29-30,32,35,39,52-53H,5-12,17-18,22,26,28,31,33-34,36-38,40-51H2,1-4H3/b15-13-,16-14-,21-19-,24-23-,25-20-,29-27-,32-30-,39-35-/t53-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:5][CH2:7][CH2:9][CH2:11]/[CH:13]=[CH:15]\[CH2:17]/[CH:19]=[CH:21]\[CH2:22]/[CH:23]=[CH:24]\[CH2:26]/[CH:27]=[CH:29]\[CH2:31]/[CH:35]=[CH:39]\[CH2:43][CH2:47][C:54](=[O:57])[O:60][CH2:50][C@@H:53]([CH2:51][O:61][C:55]([CH2:48][CH2:44][CH2:40][CH2:37][CH2:33][CH2:34][CH2:38][CH2:42][CH2:46][CH:52]([CH3:3])[CH3:4])=[O:58])[O:62][C:56]([CH2:49][CH2:45][CH2:41][CH2:36]/[CH:32]=[CH:30]\[CH2:28]/[CH:25]=[CH:20]\[CH2:18]/[CH:16]=[CH:14]\[CH2:12][CH2:10][CH2:8][CH2:6][CH3:2])=[O:59] |
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