| Properties | Image |
|---|
| MNX_ID | MNXM188256 |
 |
| reference | slm:000147851 |
| formula | C54H92O6 |
| global charge | 0 |
| mol weight | 837.324 |
| InChIKey | MYDAIDRSHFQYDQ-RNYUXHAOSA-N |
| InChI | InChI=1S/C54H92O6/c1-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-28-29-33-37-41-45-52(55)58-48-51(49-59-53(56)46-42-38-35-31-32-36-40-44-50(3)4)60-54(57)47-43-39-34-30-27-16-14-12-10-8-6-2/h12-15,18-19,21-22,24-25,28-29,50-51H,5-11,16-17,20,23,26-27,30-49H2,1-4H3/b14-12-,15-13-,19-18-,22-21-,25-24-,29-28-/t51-/m0/s1 |
| SMILES | CCCC/C=C\CCCCCCCC(=O)O[C@@H](COC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCCCCCCCCC(C)C |
MNX internals
| InChI (mnx) | InChI=1/C54H92O6/c1-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-28-29-33-37-41-45-52(55)58-48-51(49-59-53(56)46-42-38-35-31-32-36-40-44-50(3)4)60-54(57)47-43-39-34-30-27-16-14-12-10-8-6-2/h12-15,18-19,21-22,24-25,28-29,50-51H,5-11,16-17,20,23,26-27,30-49H2,1-4H3/b14-12-,15-13-,19-18-,22-21-,25-24-,29-28-/t51-/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH2:5][CH2:7][CH2:9][CH2:11]/[CH:13]=[CH:15]\[CH2:17]/[CH:18]=[CH:19]\[CH2:20]/[CH:21]=[CH:22]\[CH2:23]/[CH:24]=[CH:25]\[CH2:26]/[CH:28]=[CH:29]\[CH2:33][CH2:37][CH2:41][CH2:45][C:52](=[O:55])[O:58][CH2:48][C@@H:51]([CH2:49][O:59][C:53]([CH2:46][CH2:42][CH2:38][CH2:35][CH2:31][CH2:32][CH2:36][CH2:40][CH2:44][CH:50]([CH3:3])[CH3:4])=[O:56])[O:60][C:54]([CH2:47][CH2:43][CH2:39][CH2:34][CH2:30][CH2:27][CH2:16]/[CH:14]=[CH:12]\[CH2:10][CH2:8][CH2:6][CH3:2])=[O:57] |
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