| Properties | Image |
|---|
| MNX_ID | MNXM187171 |
 |
| reference | slm:000143283 |
| formula | C53H92O6 |
| global charge | 0 |
| mol weight | 825.313 |
| InChIKey | PYNUOPNZLMAEIL-JICCSJKKSA-N |
| InChI | InChI=1S/C53H92O6/c1-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-27-29-33-38-42-46-53(56)59-50(47-57-51(54)44-40-36-32-28-16-14-12-10-8-6-2)48-58-52(55)45-41-37-34-30-31-35-39-43-49(3)4/h13,15,18-19,21-22,24-25,27,29,49-50H,5-12,14,16-17,20,23,26,28,30-48H2,1-4H3/b15-13-,19-18-,22-21-,25-24-,29-27-/t50-/m0/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)O[C@@H](COC(=O)CCCCCCCCCCCC)COC(=O)CCCCCCCCCC(C)C |
MNX internals
| InChI (mnx) | InChI=1/C53H92O6/c1-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-27-29-33-38-42-46-53(56)59-50(47-57-51(54)44-40-36-32-28-16-14-12-10-8-6-2)48-58-52(55)45-41-37-34-30-31-35-39-43-49(3)4/h13,15,18-19,21-22,24-25,27,29,49-50H,5-12,14,16-17,20,23,26,28,30-48H2,1-4H3/b15-13-,19-18-,22-21-,25-24-,29-27-/t50-/m0/s1 |
 |
| 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:27]=[CH:29]\[CH2:33][CH2:38][CH2:42][CH2:46][C:53](=[O:56])[O:59][C@@H:50]([CH2:47][O:57][C:51]([CH2:44][CH2:40][CH2:36][CH2:32][CH2:28][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH3:2])=[O:54])[CH2:48][O:58][C:52]([CH2:45][CH2:41][CH2:37][CH2:34][CH2:30][CH2:31][CH2:35][CH2:39][CH2:43][CH:49]([CH3:3])[CH3:4])=[O:55] |
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