| Properties | Image |
|---|
| MNX_ID | MNXM358166 |
 |
| reference | slm:000271137 |
| formula | C68H114O6 |
| global charge | 0 |
| mol weight | 1027.654 |
| InChIKey | IJKWINLHSPHOOJ-UEJBHRMWSA-N |
| InChI | InChI=1S/C68H114O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-35-38-40-43-46-49-52-55-58-61-67(70)73-64-65(74-68(71)62-59-56-53-50-47-44-41-36-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-32-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-19,21,25,27-28,30,33-34,38,40-41,44,65H,4-6,8,11,13-15,17,20,22-24,26,29,31-32,35-37,39,42-43,45-64H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,28-25-,30-27-,34-33-,40-38-,44-41-/t65-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCC/C=C\C/C=C\C/C=C\C/C=C\CC |
MNX internals
| InChI (mnx) | InChI=1/C68H114O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-35-38-40-43-46-49-52-55-58-61-67(70)73-64-65(74-68(71)62-59-56-53-50-47-44-41-36-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-32-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-19,21,25,27-28,30,33-34,38,40-41,44,65H,4-6,8,11,13-15,17,20,22-24,26,29,31-32,35-37,39,42-43,45-64H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,28-25-,30-27-,34-33-,40-38-,44-41-/t65-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:4]/[CH:7]=[CH:10]\[CH2:13]/[CH:16]=[CH:19]\[CH2:22]/[CH:25]=[CH:28]\[CH2:31]/[CH:33]=[CH:34]\[CH2:35]/[CH:38]=[CH:40]\[CH2:43][CH2:46][CH2:49][CH2:52][CH2:55][CH2:58][CH2:61][C:67](=[O:70])[O:73][CH2:64][C@@H:65]([CH2:63][O:72][C:66]([CH2:60][CH2:57][CH2:54][CH2:51][CH2:48][CH2:45][CH2:42][CH2:39][CH2:37][CH2:32][CH2:29][CH2:26][CH2:23][CH2:20][CH2:17][CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:69])[O:74][C:68]([CH2:62][CH2:59][CH2:56][CH2:53][CH2:50][CH2:47]/[CH:44]=[CH:41]\[CH2:36]/[CH:30]=[CH:27]\[CH2:24]/[CH:21]=[CH:18]\[CH2:15]/[CH:12]=[CH:9]\[CH2:6][CH3:3])=[O:71] |
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