| Properties | Image |
|---|
| MNX_ID | MNXM330284 |
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| reference | slm:000143581 |
| formula | C53H92O6 |
| global charge | 0 |
| mol weight | 825.313 |
| InChIKey | AKPKTCJTTLQKMU-RWJKHDIDSA-N |
| InChI | InChI=1S/C53H92O6/c1-4-7-10-13-16-19-22-25-26-29-32-35-38-41-44-47-53(56)59-50(48-57-51(54)45-42-39-36-33-30-27-23-20-17-14-11-8-5-2)49-58-52(55)46-43-40-37-34-31-28-24-21-18-15-12-9-6-3/h16,19-20,23,25-26,31-32,34-35,50H,4-15,17-18,21-22,24,27-30,33,36-49H2,1-3H3/b19-16-,23-20-,26-25-,34-31-,35-32-/t50-/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\CCCCC(=O)O[C@@H](COC(=O)CCCC/C=C\CCCCCCCCC)COC(=O)CCCCCCC/C=C\CCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C53H92O6/c1-4-7-10-13-16-19-22-25-26-29-32-35-38-41-44-47-53(56)59-50(48-57-51(54)45-42-39-36-33-30-27-23-20-17-14-11-8-5-2)49-58-52(55)46-43-40-37-34-31-28-24-21-18-15-12-9-6-3/h16,19-20,23,25-26,31-32,34-35,50H,4-15,17-18,21-22,24,27-30,33,36-49H2,1-3H3/b19-16-,23-20-,26-25-,34-31-,35-32-/t50-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH2:13]/[CH:16]=[CH:19]\[CH2:22]/[CH:25]=[CH:26]\[CH2:29]/[CH:32]=[CH:35]\[CH2:38][CH2:41][CH2:44][CH2:47][C:53](=[O:56])[O:59][C@H:50]([CH2:48][O:57][C:51]([CH2:45][CH2:42][CH2:39][CH2:36][CH2:33][CH2:30][CH2:27]/[CH:23]=[CH:20]\[CH2:17][CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:54])[CH2:49][O:58][C:52]([CH2:46][CH2:43][CH2:40][CH2:37]/[CH:34]=[CH:31]\[CH2:28][CH2:24][CH2:21][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:55] |
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