| Properties | Image |
|---|
| MNX_ID | MNXM236212 |
 |
| reference | slm:000176695 |
| formula | C57H108O6 |
| global charge | 0 |
| mol weight | 889.485 |
| InChIKey | XXQHSUHDTRYBFW-FOTWZUTRSA-N |
| InChI | InChI=1S/C57H108O6/c1-5-7-9-11-13-15-17-19-21-22-23-24-25-26-27-29-30-32-36-40-44-48-55(58)61-51-54(52-62-56(59)49-45-41-38-34-35-39-43-47-53(3)4)63-57(60)50-46-42-37-33-31-28-20-18-16-14-12-10-8-6-2/h19,21,53-54H,5-18,20,22-52H2,1-4H3/b21-19-/t54-/m1/s1 |
| SMILES | CCCCCCCC/C=C\CCCCCCCCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C57H108O6/c1-5-7-9-11-13-15-17-19-21-22-23-24-25-26-27-29-30-32-36-40-44-48-55(58)61-51-54(52-62-56(59)49-45-41-38-34-35-39-43-47-53(3)4)63-57(60)50-46-42-37-33-31-28-20-18-16-14-12-10-8-6-2/h19,21,53-54H,5-18,20,22-52H2,1-4H3/b21-19-/t54-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15][CH2:17]/[CH:19]=[CH:21]\[CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:29][CH2:30][CH2:32][CH2:36][CH2:40][CH2:44][CH2:48][C:55](=[O:58])[O:61][CH2:51][C@H:54]([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])[O:63][C:57]([CH2:50][CH2:46][CH2:42][CH2:37][CH2:33][CH2:31][CH2:28][CH2:20][CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH3:2])=[O:60] |
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