| Properties | Image |
|---|
| MNX_ID | MNXM358419 |
 |
| reference | slm:000272980 |
| formula | C68H118O6 |
| global charge | 0 |
| mol weight | 1031.686 |
| InChIKey | UNTQJBBVNHKMCV-KOIRZWHISA-N |
| InChI | InChI=1S/C68H118O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-35-38-41-44-47-50-53-56-59-62-68(71)74-65(63-72-66(69)60-57-54-51-48-45-42-39-36-30-27-24-21-18-15-12-9-6-3)64-73-67(70)61-58-55-52-49-46-43-40-37-32-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25,27-28,30,33-34,38-39,41-42,65H,4-15,17,20,22-24,26,29,31-32,35-37,40,43-64H2,1-3H3/b19-16-,21-18-,28-25-,30-27-,34-33-,41-38-,42-39-/t65-/m0/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCC(=O)O[C@@H](COC(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C68H118O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-35-38-41-44-47-50-53-56-59-62-68(71)74-65(63-72-66(69)60-57-54-51-48-45-42-39-36-30-27-24-21-18-15-12-9-6-3)64-73-67(70)61-58-55-52-49-46-43-40-37-32-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25,27-28,30,33-34,38-39,41-42,65H,4-15,17,20,22-24,26,29,31-32,35-37,40,43-64H2,1-3H3/b19-16-,21-18-,28-25-,30-27-,34-33-,41-38-,42-39-/t65-/m0/s1 |
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| 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:41]\[CH2:44][CH2:47][CH2:50][CH2:53][CH2:56][CH2:59][CH2:62][C:68](=[O:71])[O:74][C@@H:65]([CH2:63][O:72][C:66]([CH2:60][CH2:57][CH2:54][CH2:51][CH2:48][CH2:45]/[CH:42]=[CH:39]\[CH2:36]/[CH:30]=[CH:27]\[CH2:24]/[CH:21]=[CH:18]\[CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:69])[CH2:64][O:73][C:67]([CH2:61][CH2:58][CH2:55][CH2:52][CH2:49][CH2:46][CH2:43][CH2:40][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:70] |
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