| Properties | Image |
|---|
| MNX_ID | MNXM234926 |
 |
| reference | slm:000277828 |
| formula | C69H116O6 |
| global charge | 0 |
| mol weight | 1041.681 |
| InChIKey | LWIQJEPBFXYTFP-GDBKWVLJSA-N |
| InChI | InChI=1S/C69H116O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-36-38-41-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-40-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-42-39-37-35-33-31-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25-29,32,34,38,40-41,48,51,66H,4-8,10-11,13-15,17,20,22-24,30-31,33,35-37,39,42-47,49-50,52-65H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,29-26-,34-32-,40-27-,41-38-,51-48-/t66-/m0/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)O[C@@H](COC(=O)CCCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCCCCCCCCCCCC/C=C\CCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C69H116O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-36-38-41-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-40-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-42-39-37-35-33-31-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25-29,32,34,38,40-41,48,51,66H,4-8,10-11,13-15,17,20,22-24,30-31,33,35-37,39,42-47,49-50,52-65H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,29-26-,34-32-,40-27-,41-38-,51-48-/t66-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH2:13]/[CH:16]=[CH:19]\[CH2:22]/[CH:25]=[CH:28]\[CH2:30]/[CH:32]=[CH:34]\[CH2:36]/[CH:38]=[CH:41]\[CH2:43][CH2:46][CH2:49][CH2:52][CH2:55][CH2:58][CH2:61][C:67](=[O:70])[O:73][CH2:64][C@@H:66]([CH2:65][O:74][C:68]([CH2:62][CH2:59][CH2:56][CH2:53][CH2:50][CH2:47][CH2:44][CH2:42][CH2:39][CH2:37][CH2:35][CH2:33][CH2:31]/[CH:29]=[CH:26]\[CH2:23][CH2:20][CH2:17][CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:71])[O:75][C:69]([CH2:63][CH2:60][CH2:57][CH2:54]/[CH:51]=[CH:48]\[CH2:45]/[CH:40]=[CH:27]\[CH2:24]/[CH:21]=[CH:18]\[CH2:15]/[CH:12]=[CH:9]\[CH2:6][CH3:3])=[O:72] |
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