| Properties | Image |
|---|
| MNX_ID | MNXM360158 |
 |
| reference | slm:000145673 |
| formula | C53H98O6 |
| global charge | 0 |
| mol weight | 831.361 |
| InChIKey | QFBNMIZBJNJSFZ-TUVYQMNMSA-N |
| InChI | InChI=1S/C53H98O6/c1-4-7-10-13-16-19-22-24-26-27-28-30-32-35-38-41-44-47-53(56)59-50(48-57-51(54)45-42-39-36-33-21-18-15-12-9-6-3)49-58-52(55)46-43-40-37-34-31-29-25-23-20-17-14-11-8-5-2/h16,19,24,26,50H,4-15,17-18,20-23,25,27-49H2,1-3H3/b19-16-,26-24-/t50-/m0/s1 |
| SMILES | CCCCC/C=C\C/C=C\CCCCCCCCCC(=O)O[C@@H](COC(=O)CCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C53H98O6/c1-4-7-10-13-16-19-22-24-26-27-28-30-32-35-38-41-44-47-53(56)59-50(48-57-51(54)45-42-39-36-33-21-18-15-12-9-6-3)49-58-52(55)46-43-40-37-34-31-29-25-23-20-17-14-11-8-5-2/h16,19,24,26,50H,4-15,17-18,20-23,25,27-49H2,1-3H3/b19-16-,26-24-/t50-/m0/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][CH2:28][CH2:30][CH2:32][CH2:35][CH2:38][CH2:41][CH2:44][CH2:47][C:53](=[O:56])[O:59][C@@H:50]([CH2:48][O:57][C:51]([CH2:45][CH2:42][CH2:39][CH2:36][CH2:33][CH2:21][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:54])[CH2:49][O:58][C:52]([CH2:46][CH2:43][CH2:40][CH2:37][CH2:34][CH2:31][CH2:29][CH2:25][CH2:23][CH2:20][CH2:17][CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:55] |
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