| Properties | Image |
|---|
| MNX_ID | MNXM337115 |
 |
| reference | slm:000168621 |
| formula | C57H96O6 |
| global charge | 0 |
| mol weight | 877.389 |
| InChIKey | SASTUSDSIZCZEU-SGQWYXHYSA-N |
| InChI | InChI=1S/C57H96O6/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/h15-20,24-26,28-30,33,36,54H,4-14,21-23,27,31-32,34-35,37-53H2,1-3H3/b18-15-,19-16-,20-17-,26-24-,29-28-,30-25-,36-33-/t54-/m1/s1 |
| SMILES | CCCC/C=C\CCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCC/C=C\C/C=C\CCCCC)OC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C57H96O6/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/h15-20,24-26,28-30,33,36,54H,4-14,21-23,27,31-32,34-35,37-53H2,1-3H3/b18-15-,19-16-,20-17-,26-24-,29-28-,30-25-,36-33-/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]\[CH2:39][CH2:42][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][CH2:21]/[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]/[CH:30]=[CH:25]\[CH2:23]/[CH:20]=[CH:17]\[CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:59] |
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