| Properties | Image |
|---|
| MNX_ID | MNXM315865 |
 |
| reference | slm:000138953 |
| formula | C53H94O5 |
| global charge | 0 |
| mol weight | 811.33 |
| InChIKey | WELKLBPKGPLIBU-LUEUYOGFSA-N |
| InChI | InChI=1S/C53H94O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-26-28-30-32-34-36-38-40-42-44-46-48-53(56)58-51(49-54)50-57-52(55)47-45-43-41-39-37-35-33-31-29-27-24-22-20-18-16-14-12-10-8-6-4-2/h12,14,17-20,24,27,31,33,51,54H,3-11,13,15-16,21-23,25-26,28-30,32,34-50H2,1-2H3/b14-12-,19-17-,20-18-,27-24-,33-31-/t51-/m0/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCCCCCCCC/C=C\CCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C53H94O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-26-28-30-32-34-36-38-40-42-44-46-48-53(56)58-51(49-54)50-57-52(55)47-45-43-41-39-37-35-33-31-29-27-24-22-20-18-16-14-12-10-8-6-4-2/h12,14,17-20,24,27,31,33,51,54H,3-11,13,15-16,21-23,25-26,28-30,32,34-50H2,1-2H3/b14-12-,19-17-,20-18-,27-24-,33-31-/t51-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15]/[CH:17]=[CH:19]\[CH2:21][CH2:23][CH2:25][CH2:26][CH2:28][CH2:30][CH2:32][CH2:34][CH2:36][CH2:38][CH2:40][CH2:42][CH2:44][CH2:46][CH2:48][C:53](=[O:56])[O:58][C@@H:51]([CH2:49][OH:54])[CH2:50][O:57][C:52]([CH2:47][CH2:45][CH2:43][CH2:41][CH2:39][CH2:37][CH2:35]/[CH:33]=[CH:31]\[CH2:29]/[CH:27]=[CH:24]\[CH2:22]/[CH:20]=[CH:18]\[CH2:16]/[CH:14]=[CH:12]\[CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:55] |
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