| Properties | Image |
|---|
| MNX_ID | MNXM316350 |
 |
| reference | slm:000271207 |
| formula | C68H114O6 |
| global charge | 0 |
| mol weight | 1027.654 |
| InChIKey | HQDWDODXFDACQV-FKOQUDDHSA-N |
| InChI | InChI=1S/C68H114O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-36-38-40-43-46-49-52-55-58-61-67(70)73-64-65(63-72-66(69)60-57-54-51-48-45-42-27-24-21-18-15-12-9-6-3)74-68(71)62-59-56-53-50-47-44-41-39-37-35-33-31-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-26,28-29,32-35,38-41,47,50,65H,4-15,18,21-24,27,30-31,36-37,42-46,48-49,51-64H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,34-32-,35-33-,40-38-,41-39-,50-47-/t65-/m0/s1 |
| SMILES | CCCCC/C=C\C/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)CCCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C68H114O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-36-38-40-43-46-49-52-55-58-61-67(70)73-64-65(63-72-66(69)60-57-54-51-48-45-42-27-24-21-18-15-12-9-6-3)74-68(71)62-59-56-53-50-47-44-41-39-37-35-33-31-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-26,28-29,32-35,38-41,47,50,65H,4-15,18,21-24,27,30-31,36-37,42-46,48-49,51-64H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,34-32-,35-33-,40-38-,41-39-,50-47-/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]\[CH2:30]/[CH:32]=[CH:34]\[CH2:36]/[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][CH2:27][CH2:24][CH2:21][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:69])[O:74][C:68]([CH2:62][CH2:59][CH2:56][CH2:53]/[CH:50]=[CH:47]\[CH2:44]/[CH:41]=[CH:39]\[CH2:37]/[CH:35]=[CH:33]\[CH2:31]/[CH:29]=[CH:26]\[CH2:23]/[CH:20]=[CH:17]\[CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:71] |
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