| Properties | Image |
|---|
| MNX_ID | MNXM314757 |
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| reference | slm:000163546 |
| formula | C57H102O5 |
| global charge | 0 |
| mol weight | 867.438 |
| InChIKey | UCQFPEUILSRMMD-KNRLMMFLSA-N |
| InChI | InChI=1S/C57H102O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-26-27-28-29-30-32-34-36-38-40-42-44-46-48-50-52-57(60)62-54-55(58)53-61-56(59)51-49-47-45-43-41-39-37-35-33-31-24-22-20-18-16-14-12-10-8-6-4-2/h6,8,12,14,18,20,24,31,35,37,55,58H,3-5,7,9-11,13,15-17,19,21-23,25-30,32-34,36,38-54H2,1-2H3/b8-6-,14-12-,20-18-,31-24-,37-35-/t55-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@@H](O)COC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C57H102O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-26-27-28-29-30-32-34-36-38-40-42-44-46-48-50-52-57(60)62-54-55(58)53-61-56(59)51-49-47-45-43-41-39-37-35-33-31-24-22-20-18-16-14-12-10-8-6-4-2/h6,8,12,14,18,20,24,31,35,37,55,58H,3-5,7,9-11,13,15-17,19,21-23,25-30,32-34,36,38-54H2,1-2H3/b8-6-,14-12-,20-18-,31-24-,37-35-/t55-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15][CH2:17][CH2:19][CH2:21][CH2:23][CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:32][CH2:34][CH2:36][CH2:38][CH2:40][CH2:42][CH2:44][CH2:46][CH2:48][CH2:50][CH2:52][C:57](=[O:60])[O:62][CH2:54][C@@H:55]([CH2:53][O:61][C:56]([CH2:51][CH2:49][CH2:47][CH2:45][CH2:43][CH2:41][CH2:39]/[CH:37]=[CH:35]\[CH2:33]/[CH:31]=[CH:24]\[CH2:22]/[CH:20]=[CH:18]\[CH2:16]/[CH:14]=[CH:12]\[CH2:10]/[CH:8]=[CH:6]\[CH2:4][CH3:2])=[O:59])[OH:58] |
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