| Properties | Image |
|---|
| MNX_ID | MNXM214629 |
 |
| reference | slm:000141530 |
| formula | C52H98O6 |
| global charge | 0 |
| mol weight | 819.35 |
| InChIKey | JQLGMIQRMRGRDC-MWYDPOFASA-N |
| InChI | InChI=1S/C52H98O6/c1-5-7-9-11-13-15-17-18-19-20-21-22-24-27-31-35-39-43-50(53)56-46-49(58-52(55)45-41-37-33-28-23-16-14-12-10-8-6-2)47-57-51(54)44-40-36-32-29-25-26-30-34-38-42-48(3)4/h12,14,48-49H,5-11,13,15-47H2,1-4H3/b14-12-/t49-/m0/s1 |
| SMILES | CCCC/C=C\CCCCCCCC(=O)O[C@@H](COC(=O)CCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCC(C)C |
MNX internals
| InChI (mnx) | InChI=1/C52H98O6/c1-5-7-9-11-13-15-17-18-19-20-21-22-24-27-31-35-39-43-50(53)56-46-49(58-52(55)45-41-37-33-28-23-16-14-12-10-8-6-2)47-57-51(54)44-40-36-32-29-25-26-30-34-38-42-48(3)4/h12,14,48-49H,5-11,13,15-47H2,1-4H3/b14-12-/t49-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:24][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][CH2:23][CH2:16]/[CH:14]=[CH:12]\[CH2:10][CH2:8][CH2:6][CH3:2])=[O:55] |
|