| Properties | Image |
|---|
| MNX_ID | MNXM336117 |
 |
| reference | slm:000146568 |
| formula | C53H100O6 |
| global charge | 0 |
| mol weight | 833.377 |
| InChIKey | PIZWAJZFEMDSAL-BZSRFWPISA-N |
| InChI | InChI=1S/C53H100O6/c1-5-7-9-11-13-15-17-18-19-20-21-25-29-33-37-41-45-52(55)58-48-50(47-57-51(54)44-40-36-32-28-23-16-14-12-10-8-6-2)59-53(56)46-42-38-34-30-26-22-24-27-31-35-39-43-49(3)4/h12,14,49-50H,5-11,13,15-48H2,1-4H3/b14-12-/t50-/m1/s1 |
| SMILES | CCCC/C=C\CCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC(C)C |
MNX internals
| InChI (mnx) | InChI=1/C53H100O6/c1-5-7-9-11-13-15-17-18-19-20-21-25-29-33-37-41-45-52(55)58-48-50(47-57-51(54)44-40-36-32-28-23-16-14-12-10-8-6-2)59-53(56)46-42-38-34-30-26-22-24-27-31-35-39-43-49(3)4/h12,14,49-50H,5-11,13,15-48H2,1-4H3/b14-12-/t50-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:25][CH2:29][CH2:33][CH2:37][CH2:41][CH2:45][C:52](=[O:55])[O:58][CH2:48][C@@H:50]([CH2:47][O:57][C:51]([CH2:44][CH2:40][CH2:36][CH2:32][CH2:28][CH2:23][CH2:16]/[CH:14]=[CH:12]\[CH2:10][CH2:8][CH2:6][CH3:2])=[O:54])[O:59][C:53]([CH2:46][CH2:42][CH2:38][CH2:34][CH2:30][CH2:26][CH2:22][CH2:24][CH2:27][CH2:31][CH2:35][CH2:39][CH2:43][CH:49]([CH3:3])[CH3:4])=[O:56] |
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