| Properties | Image |
|---|
| MNX_ID | MNXM336786 |
 |
| reference | slm:000142651 |
| formula | C53H90O6 |
| global charge | 0 |
| mol weight | 823.297 |
| InChIKey | MMCSVXGBSAXPBZ-IPEKESLLSA-N |
| InChI | InChI=1S/C53H90O6/c1-4-7-10-13-16-19-21-22-23-24-25-26-27-28-29-30-32-35-38-41-44-47-53(56)59-50(48-57-51(54)45-42-39-36-33-18-15-12-9-6-3)49-58-52(55)46-43-40-37-34-31-20-17-14-11-8-5-2/h14,16-17,19,22-23,25-26,28-29,32,35,50H,4-13,15,18,20-21,24,27,30-31,33-34,36-49H2,1-3H3/b17-14-,19-16-,23-22-,26-25-,29-28-,35-32-/t50-/m0/s1 |
| SMILES | CCCC/C=C\CCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCCCCCC)OC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C53H90O6/c1-4-7-10-13-16-19-21-22-23-24-25-26-27-28-29-30-32-35-38-41-44-47-53(56)59-50(48-57-51(54)45-42-39-36-33-18-15-12-9-6-3)49-58-52(55)46-43-40-37-34-31-20-17-14-11-8-5-2/h14,16-17,19,22-23,25-26,28-29,32,35,50H,4-13,15,18,20-21,24,27,30-31,33-34,36-49H2,1-3H3/b17-14-,19-16-,23-22-,26-25-,29-28-,35-32-/t50-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH2:13]/[CH:16]=[CH:19]\[CH2:21]/[CH:22]=[CH:23]\[CH2:24]/[CH:25]=[CH:26]\[CH2:27]/[CH:28]=[CH:29]\[CH2:30]/[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][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:54])[CH2:49][O:58][C:52]([CH2:46][CH2:43][CH2:40][CH2:37][CH2:34][CH2:31][CH2:20]/[CH:17]=[CH:14]\[CH2:11][CH2:8][CH2:5][CH3:2])=[O:55] |
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