| Properties | Image |
|---|
| MNX_ID | MNXM212206 |
 |
| reference | slm:000161943 |
| formula | C56H96O6 |
| global charge | 0 |
| mol weight | 865.378 |
| InChIKey | NCJUZWPQXVJBQU-YLQCUDAPSA-N |
| InChI | InChI=1S/C56H96O6/c1-5-7-9-11-13-15-17-19-21-22-24-25-27-31-35-39-43-47-54(57)60-50-53(51-61-55(58)48-44-40-36-33-29-30-34-38-42-46-52(3)4)62-56(59)49-45-41-37-32-28-26-23-20-18-16-14-12-10-8-6-2/h7,9,13,15-16,18-19,21,24-25,31,35,52-53H,5-6,8,10-12,14,17,20,22-23,26-30,32-34,36-51H2,1-4H3/b9-7-,15-13-,18-16+,21-19-,25-24-,35-31-/t53-/m0/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OC[C@@H](COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCC/C=C/CCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C56H96O6/c1-5-7-9-11-13-15-17-19-21-22-24-25-27-31-35-39-43-47-54(57)60-50-53(51-61-55(58)48-44-40-36-33-29-30-34-38-42-46-52(3)4)62-56(59)49-45-41-37-32-28-26-23-20-18-16-14-12-10-8-6-2/h7,9,13,15-16,18-19,21,24-25,31,35,52-53H,5-6,8,10-12,14,17,20,22-23,26-30,32-34,36-51H2,1-4H3/b9-7-,15-13-,18-16+,21-19-,25-24-,35-31-/t53-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:5]/[CH:7]=[CH:9]\[CH2:11]/[CH:13]=[CH:15]\[CH2:17]/[CH:19]=[CH:21]\[CH2:22]/[CH:24]=[CH:25]\[CH2:27]/[CH:31]=[CH:35]\[CH2:39][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][CH2:36][CH2:33][CH2:29][CH2:30][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][CH2:37][CH2:32][CH2:28][CH2:26][CH2:23][CH2:20]/[CH:18]=[CH:16]/[CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH3:2])=[O:59] |
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