| Properties | Image |
|---|
| MNX_ID | MNXM350609 |
 |
| reference | slm:000164778 |
| formula | C57H90O6 |
| global charge | 0 |
| mol weight | 871.341 |
| InChIKey | OLCYHAGWLMWVRX-PYGRTWNQSA-N |
| InChI | InChI=1S/C57H90O6/c1-4-7-10-13-16-19-21-23-25-27-28-30-32-34-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-33-31-29-26-24-22-20-17-14-11-8-5-2/h7,10,16-17,19-20,23-26,28,30-31,33-34,36,38,41-42,45,54H,4-6,8-9,11-15,18,21-22,27,29,32,35,37,39-40,43-44,46-53H2,1-3H3/b10-7-,19-16-,20-17-,25-23-,26-24-,30-28-,33-31-,36-34-,41-38-,45-42-/t54-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O[C@@H](COC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C57H90O6/c1-4-7-10-13-16-19-21-23-25-27-28-30-32-34-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-33-31-29-26-24-22-20-17-14-11-8-5-2/h7,10,16-17,19-20,23-26,28,30-31,33-34,36,38,41-42,45,54H,4-6,8-9,11-15,18,21-22,27,29,32,35,37,39-40,43-44,46-53H2,1-3H3/b10-7-,19-16-,20-17-,25-23-,26-24-,30-28-,33-31-,36-34-,41-38-,45-42-/t54-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:4]/[CH:7]=[CH:10]\[CH2:13]/[CH:16]=[CH:19]\[CH2:21]/[CH:23]=[CH:25]\[CH2:27]/[CH:28]=[CH:30]\[CH2:32]/[CH:34]=[CH:36]\[CH2:39]/[CH:42]=[CH:45]\[CH2:48][CH2:51][C:57](=[O:60])[O:63][C@H:54]([CH2:52][O:61][C:55]([CH2:49][CH2:46][CH2:43][CH2:40][CH2:37][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:58])[CH2:53][O:62][C:56]([CH2:50][CH2:47][CH2:44]/[CH:41]=[CH:38]\[CH2:35]/[CH:33]=[CH:31]\[CH2:29]/[CH:26]=[CH:24]\[CH2:22]/[CH:20]=[CH:17]\[CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:59] |
|