| Properties | Image |
|---|
| MNX_ID | MNXM276717 |
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| reference | slm:000270338 |
| formula | C68H112O6 |
| global charge | 0 |
| mol weight | 1025.638 |
| InChIKey | QJRBJVQYASAVDR-NTYJRUELSA-N |
| InChI | InChI=1S/C68H112O6/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(63-72-66(69)60-57-54-51-48-45-42-39-36-30-27-24-21-18-15-12-9-6-3)74-68(71)62-59-56-53-50-47-44-41-37-32-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25,27-28,30,33-34,38-40,42,46,48-49,51,65H,4-8,10-11,13-15,17,20,22-24,26,29,31-32,35-37,41,43-45,47,50,52-64H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,30-27-,34-33-,40-38-,42-39-,49-46-,51-48-/t65-/m0/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OC[C@@H](COC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C68H112O6/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(63-72-66(69)60-57-54-51-48-45-42-39-36-30-27-24-21-18-15-12-9-6-3)74-68(71)62-59-56-53-50-47-44-41-37-32-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25,27-28,30,33-34,38-40,42,46,48-49,51,65H,4-8,10-11,13-15,17,20,22-24,26,29,31-32,35-37,41,43-45,47,50,52-64H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,30-27-,34-33-,40-38-,42-39-,49-46-,51-48-/t65-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH2:13]/[CH:16]=[CH:19]\[CH2:22]/[CH:25]=[CH:28]\[CH2:31]/[CH:33]=[CH:34]\[CH2:35]/[CH:38]=[CH:40]\[CH2:43]/[CH:46]=[CH: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]/[CH:51]=[CH:48]\[CH2:45]/[CH:42]=[CH:39]\[CH2:36]/[CH:30]=[CH:27]\[CH2:24]/[CH:21]=[CH:18]\[CH2:15]/[CH:12]=[CH:9]\[CH2:6][CH3:3])=[O:69])[O:74][C:68]([CH2:62][CH2:59][CH2:56][CH2:53][CH2:50][CH2:47][CH2:44][CH2:41][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:71] |
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