| Properties | Image |
|---|
| MNX_ID | MNXM336480 |
 |
| reference | slm:000167169 |
| formula | C57H94O6 |
| global charge | 0 |
| mol weight | 875.373 |
| InChIKey | IJTJZUDATXBHSP-MCGQOTDLSA-N |
| InChI | InChI=1S/C57H94O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-30-25-23-20-17-14-11-8-5-2/h7,10,15-16,18-20,23-24,26,28-29,33,36,42,45,54H,4-6,8-9,11-14,17,21-22,25,27,30-32,34-35,37-41,43-44,46-53H2,1-3H3/b10-7-,18-15-,19-16-,23-20-,26-24-,29-28-,36-33-,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)CCCCCCC/C=C\CCCC)COC(=O)CCCCCCCCC/C=C\CCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C57H94O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-30-25-23-20-17-14-11-8-5-2/h7,10,15-16,18-20,23-24,26,28-29,33,36,42,45,54H,4-6,8-9,11-14,17,21-22,25,27,30-32,34-35,37-41,43-44,46-53H2,1-3H3/b10-7-,18-15-,19-16-,23-20-,26-24-,29-28-,36-33-,45-42-/t54-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:4]/[CH:7]=[CH:10]\[CH2:13]/[CH:16]=[CH:19]\[CH2:22]/[CH:24]=[CH:26]\[CH2:27]/[CH:28]=[CH:29]\[CH2:31]/[CH:33]=[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][CH2:34][CH2:21]/[CH:18]=[CH:15]\[CH2:12][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][CH2:30][CH2:25]/[CH:23]=[CH:20]\[CH2:17][CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:59] |
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