| Properties | Image |
|---|
| MNX_ID | MNXM233437 |
 |
| reference | slm:000177059 |
| formula | C57H108O6 |
| global charge | 0 |
| mol weight | 889.485 |
| InChIKey | NDNRNVKCIXBRTN-CVQWZYRMSA-N |
| InChI | InChI=1S/C57H108O6/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-27-32-37-42-47-55(58)61-50-54(63-57(60)49-44-39-34-29-24-26-31-36-41-46-53(4)5)51-62-56(59)48-43-38-33-28-23-25-30-35-40-45-52(2)3/h13-14,52-54H,6-12,15-51H2,1-5H3/b14-13-/t54-/m1/s1 |
| SMILES | CCCCCCCC/C=C\CCCCCCCCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC(C)C |
MNX internals
| InChI (mnx) | InChI=1/C57H108O6/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-27-32-37-42-47-55(58)61-50-54(63-57(60)49-44-39-34-29-24-26-31-36-41-46-53(4)5)51-62-56(59)48-43-38-33-28-23-25-30-35-40-45-52(2)3/h13-14,52-54H,6-12,15-51H2,1-5H3/b14-13-/t54-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12]/[CH:13]=[CH:14]\[CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:27][CH2:32][CH2:37][CH2:42][CH2:47][C:55](=[O:58])[O:61][CH2:50][C@H:54]([CH2:51][O:62][C:56]([CH2:48][CH2:43][CH2:38][CH2:33][CH2:28][CH2:23][CH2:25][CH2:30][CH2:35][CH2:40][CH2:45][CH:52]([CH3:2])[CH3:3])=[O:59])[O:63][C:57]([CH2:49][CH2:44][CH2:39][CH2:34][CH2:29][CH2:24][CH2:26][CH2:31][CH2:36][CH2:41][CH2:46][CH:53]([CH3:4])[CH3:5])=[O:60] |
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