| Properties | Image |
|---|
| MNX_ID | MNXM214362 |
 |
| reference | slm:000139580 |
| formula | C52H92O6 |
| global charge | 0 |
| mol weight | 813.302 |
| InChIKey | WHAQRXYOGBSSCO-DEPDDFICSA-N |
| InChI | InChI=1S/C52H92O6/c1-5-7-9-11-13-15-17-19-20-22-23-27-31-35-39-43-50(53)56-46-49(47-57-51(54)44-40-36-32-29-25-26-30-34-38-42-48(3)4)58-52(55)45-41-37-33-28-24-21-18-16-14-12-10-8-6-2/h10,12,15-20,48-49H,5-9,11,13-14,21-47H2,1-4H3/b12-10-,17-15+,18-16-,20-19-/t49-/m0/s1 |
| SMILES | CCC/C=C\C/C=C\CCCCCCCC(=O)O[C@@H](COC(=O)CCCCCCC/C=C\C=C\CCCCCC)COC(=O)CCCCCCCCCCCC(C)C |
MNX internals
| InChI (mnx) | InChI=1/C52H92O6/c1-5-7-9-11-13-15-17-19-20-22-23-27-31-35-39-43-50(53)56-46-49(47-57-51(54)44-40-36-32-29-25-26-30-34-38-42-48(3)4)58-52(55)45-41-37-33-28-24-21-18-16-14-12-10-8-6-2/h10,12,15-20,48-49H,5-9,11,13-14,21-47H2,1-4H3/b12-10-,17-15+,18-16-,20-19-/t49-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13]/[CH:15]=[CH:17]/[CH:19]=[CH:20]\[CH2:22][CH2:23][CH2:27][CH2:31][CH2:35][CH2:39][CH2:43][C:50](=[O:53])[O:56][CH2:46][C@@H:49]([CH2:47][O:57][C:51]([CH2:44][CH2:40][CH2:36][CH2:32][CH2:29][CH2:25][CH2:26][CH2:30][CH2:34][CH2:38][CH2:42][CH:48]([CH3:3])[CH3:4])=[O:54])[O:58][C:52]([CH2:45][CH2:41][CH2:37][CH2:33][CH2:28][CH2:24][CH2:21]/[CH:18]=[CH:16]\[CH2:14]/[CH:12]=[CH:10]\[CH2:8][CH2:6][CH3:2])=[O:55] |
|