| Properties | Image |
|---|
| MNX_ID | MNXM187097 |
 |
| reference | slm:000170206 |
| formula | C57H98O6 |
| global charge | 0 |
| mol weight | 879.405 |
| InChIKey | BFAPVPVPUXUGKW-LETMIKKLSA-N |
| InChI | InChI=1S/C57H98O6/c1-5-7-9-11-13-15-17-19-21-22-23-24-25-26-27-29-31-33-37-42-46-50-57(60)63-54(52-62-56(59)49-45-41-38-34-35-39-43-47-53(3)4)51-61-55(58)48-44-40-36-32-30-28-20-18-16-14-12-10-8-6-2/h7,9,13,15,19,21,23-24,26-27,31,33,53-54H,5-6,8,10-12,14,16-18,20,22,25,28-30,32,34-52H2,1-4H3/b9-7-,15-13-,21-19-,24-23-,27-26-,33-31-/t54-/m0/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)O[C@@H](COC(=O)CCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCC(C)C |
MNX internals
| InChI (mnx) | InChI=1/C57H98O6/c1-5-7-9-11-13-15-17-19-21-22-23-24-25-26-27-29-31-33-37-42-46-50-57(60)63-54(52-62-56(59)49-45-41-38-34-35-39-43-47-53(3)4)51-61-55(58)48-44-40-36-32-30-28-20-18-16-14-12-10-8-6-2/h7,9,13,15,19,21,23-24,26-27,31,33,53-54H,5-6,8,10-12,14,16-18,20,22,25,28-30,32,34-52H2,1-4H3/b9-7-,15-13-,21-19-,24-23-,27-26-,33-31-/t54-/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:23]=[CH:24]\[CH2:25]/[CH:26]=[CH:27]\[CH2:29]/[CH:31]=[CH:33]\[CH2:37][CH2:42][CH2:46][CH2:50][C:57](=[O:60])[O:63][C@@H:54]([CH2:51][O:61][C:55]([CH2:48][CH2:44][CH2:40][CH2:36][CH2:32][CH2:30][CH2:28][CH2:20][CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH3:2])=[O:58])[CH2:52][O:62][C:56]([CH2:49][CH2:45][CH2:41][CH2:38][CH2:34][CH2:35][CH2:39][CH2:43][CH2:47][CH:53]([CH3:3])[CH3:4])=[O:59] |
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