| Properties | Image |
|---|
| MNX_ID | MNXM333295 |
 |
| reference | slm:000167739 |
| formula | C57H94O6 |
| global charge | 0 |
| mol weight | 875.373 |
| InChIKey | WZBALJWEMNFVGO-LMVCQUTQSA-N |
| InChI | InChI=1S/C57H94O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,12,15-16,19,21,24-27,29-30,33,39,42,54H,4-6,8-9,11,13-14,17-18,20,22-23,28,31-32,34-38,40-41,43-53H2,1-3H3/b10-7-,15-12-,19-16-,24-21-,27-25-,29-26-,33-30-,42-39-/t54-/m0/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O[C@@H](COC(=O)CCCCCCC/C=C\C/C=C\CCC)COC(=O)CCCCCCC/C=C\CCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C57H94O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,12,15-16,19,21,24-27,29-30,33,39,42,54H,4-6,8-9,11,13-14,17-18,20,22-23,28,31-32,34-38,40-41,43-53H2,1-3H3/b10-7-,15-12-,19-16-,24-21-,27-25-,29-26-,33-30-,42-39-/t54-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:4]/[CH:7]=[CH:10]\[CH2:13]/[CH:16]=[CH:19]\[CH2:22]/[CH:25]=[CH:27]\[CH2:28]/[CH:30]=[CH:33]\[CH2:36]/[CH:39]=[CH:42]\[CH2:45][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][CH2:34][CH2:31]/[CH:24]=[CH:21]\[CH2:18]/[CH:15]=[CH:12]\[CH2:9][CH2:6][CH3:3])=[O:58])[CH2:53][O:62][C:56]([CH2:50][CH2:47][CH2:44][CH2:41][CH2:38][CH2:35][CH2:32]/[CH:29]=[CH:26]\[CH2:23][CH2:20][CH2:17][CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:59] |
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