| Properties | Image |
|---|
| MNX_ID | MNXM192021 |
 |
| reference | slm:000168698 |
| formula | C57H96O6 |
| global charge | 0 |
| mol weight | 877.389 |
| InChIKey | XQQRKYMZROXACK-CNEBNBEPSA-N |
| InChI | InChI=1S/C57H96O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-35-32-30-25-23-20-17-14-11-8-5-2/h15-16,18-20,23-24,26,28-29,33,36,41,44,54H,4-14,17,21-22,25,27,30-32,34-35,37-40,42-43,45-53H2,1-3H3/b18-15-,19-16-,23-20+,26-24-,29-28-,36-33-,44-41-/t54-/m1/s1 |
| SMILES | CCCC/C=C\CCCCCCCC(=O)O[C@@H](COC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCCCCCCCC/C=C/CCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C57H96O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-35-32-30-25-23-20-17-14-11-8-5-2/h15-16,18-20,23-24,26,28-29,33,36,41,44,54H,4-14,17,21-22,25,27,30-32,34-35,37-40,42-43,45-53H2,1-3H3/b18-15-,19-16-,23-20+,26-24-,29-28-,36-33-,44-41-/t54-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH2:13]/[CH:16]=[CH:19]\[CH2:22]/[CH:24]=[CH:26]\[CH2:27]/[CH:28]=[CH:29]\[CH2:31]/[CH:33]=[CH:36]\[CH2:38]/[CH:41]=[CH:44]\[CH2:47][CH2:50][C:56](=[O:59])[O:62][CH2:53][C@@H:54]([CH2:52][O:61][C:55]([CH2:49][CH2:46][CH2:43][CH2:40][CH2:37][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:58])[O:63][C:57]([CH2:51][CH2:48][CH2:45][CH2:42][CH2:39][CH2:34][CH2:21]/[CH:18]=[CH:15]\[CH2:12][CH2:9][CH2:6][CH3:3])=[O:60] |
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