| Properties | Image |
|---|
| MNX_ID | MNXM336816 |
 |
| reference | slm:000142633 |
| formula | C53H90O6 |
| global charge | 0 |
| mol weight | 823.297 |
| InChIKey | QJWVWMNQQBKBFF-AJAWCUNKSA-N |
| InChI | InChI=1S/C53H90O6/c1-4-7-10-13-16-19-22-24-26-28-31-34-37-40-43-46-52(55)58-49-50(48-57-51(54)45-42-39-36-33-30-21-18-15-12-9-6-3)59-53(56)47-44-41-38-35-32-29-27-25-23-20-17-14-11-8-5-2/h8,11,15,17-20,22,25,27,32,35,50H,4-7,9-10,12-14,16,21,23-24,26,28-31,33-34,36-49H2,1-3H3/b11-8-,18-15-,20-17-,22-19+,27-25-,35-32-/t50-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\CCCC)COC(=O)CCCCCCCCC/C=C/CCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C53H90O6/c1-4-7-10-13-16-19-22-24-26-28-31-34-37-40-43-46-52(55)58-49-50(48-57-51(54)45-42-39-36-33-30-21-18-15-12-9-6-3)59-53(56)47-44-41-38-35-32-29-27-25-23-20-17-14-11-8-5-2/h8,11,15,17-20,22,25,27,32,35,50H,4-7,9-10,12-14,16,21,23-24,26,28-31,33-34,36-49H2,1-3H3/b11-8-,18-15-,20-17-,22-19+,27-25-,35-32-/t50-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH2:13][CH2:16]/[CH:19]=[CH:22]/[CH2:24][CH2:26][CH2:28][CH2:31][CH2:34][CH2:37][CH2:40][CH2:43][CH2:46][C:52](=[O:55])[O:58][CH2:49][C@@H:50]([CH2:48][O:57][C:51]([CH2:45][CH2:42][CH2:39][CH2:36][CH2:33][CH2:30][CH2:21]/[CH:18]=[CH:15]\[CH2:12][CH2:9][CH2:6][CH3:3])=[O:54])[O:59][C:53]([CH2:47][CH2:44][CH2:41][CH2:38]/[CH:35]=[CH:32]\[CH2:29]/[CH:27]=[CH:25]\[CH2:23]/[CH:20]=[CH:17]\[CH2:14]/[CH:11]=[CH:8]\[CH2:5][CH3:2])=[O:56] |
|