| Properties | Image |
|---|
| MNX_ID | MNXM192026 |
 |
| reference | slm:000142698 |
| formula | C53H90O6 |
| global charge | 0 |
| mol weight | 823.297 |
| InChIKey | LRKJOHOTNWZBAC-GIJXOIMXSA-N |
| InChI | InChI=1S/C53H90O6/c1-4-7-10-13-16-19-22-24-26-28-31-33-36-39-42-45-51(54)57-48-50(59-53(56)47-44-41-38-35-30-21-18-15-12-9-6-3)49-58-52(55)46-43-40-37-34-32-29-27-25-23-20-17-14-11-8-5-2/h7,10,15-16,18-20,23-24,26,31,33,50H,4-6,8-9,11-14,17,21-22,25,27-30,32,34-49H2,1-3H3/b10-7-,18-15-,19-16-,23-20+,26-24-,33-31-/t50-/m0/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)OC[C@@H](COC(=O)CCCCCCCCC/C=C/CCCCCC)OC(=O)CCCCCCC/C=C\CCCC |
MNX internals
| InChI (mnx) | InChI=1/C53H90O6/c1-4-7-10-13-16-19-22-24-26-28-31-33-36-39-42-45-51(54)57-48-50(59-53(56)47-44-41-38-35-30-21-18-15-12-9-6-3)49-58-52(55)46-43-40-37-34-32-29-27-25-23-20-17-14-11-8-5-2/h7,10,15-16,18-20,23-24,26,31,33,50H,4-6,8-9,11-14,17,21-22,25,27-30,32,34-49H2,1-3H3/b10-7-,18-15-,19-16-,23-20+,26-24-,33-31-/t50-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:4]/[CH:7]=[CH:10]\[CH2:13]/[CH:16]=[CH:19]\[CH2:22]/[CH:24]=[CH:26]\[CH2:28]/[CH:31]=[CH:33]\[CH2:36][CH2:39][CH2:42][CH2:45][C:51](=[O:54])[O:57][CH2:48][C@@H:50]([CH2:49][O:58][C:52]([CH2:46][CH2:43][CH2:40][CH2:37][CH2:34][CH2:32][CH2:29][CH2:27][CH2:25]/[CH:23]=[CH:20]/[CH2:17][CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:55])[O:59][C:53]([CH2:47][CH2:44][CH2:41][CH2:38][CH2:35][CH2:30][CH2:21]/[CH:18]=[CH:15]\[CH2:12][CH2:9][CH2:6][CH3:3])=[O:56] |
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