| Properties | Image |
|---|
| MNX_ID | MNXM235296 |
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| reference | slm:000287396 |
| formula | C71H118O6 |
| global charge | 0 |
| mol weight | 1067.719 |
| InChIKey | VDMXECGLRPGTMN-FYYUQLLHSA-N |
| InChI | InChI=1S/C71H118O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-40-42-45-48-51-54-57-60-63-69(72)75-66-68(77-71(74)65-62-59-56-53-50-47-44-39-30-27-24-21-18-15-12-9-6-3)67-76-70(73)64-61-58-55-52-49-46-43-41-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25-30,33,35,40,42,44,47-48,51,68H,4-8,10-11,13-15,17,20,22-24,31-32,34,36-39,41,43,45-46,49-50,52-67H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,29-26-,30-27-,35-33-,42-40-,47-44-,51-48-/t68-/m0/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCC(=O)O[C@@H](COC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCCCCCCCCCCCC/C=C\CCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C71H118O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-40-42-45-48-51-54-57-60-63-69(72)75-66-68(77-71(74)65-62-59-56-53-50-47-44-39-30-27-24-21-18-15-12-9-6-3)67-76-70(73)64-61-58-55-52-49-46-43-41-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25-30,33,35,40,42,44,47-48,51,68H,4-8,10-11,13-15,17,20,22-24,31-32,34,36-39,41,43,45-46,49-50,52-67H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,29-26-,30-27-,35-33-,42-40-,47-44-,51-48-/t68-/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:35]\[CH2:37]/[CH:40]=[CH:42]\[CH2:45]/[CH:48]=[CH:51]\[CH2:54][CH2:57][CH2:60][CH2:63][C:69](=[O:72])[O:75][CH2:66][C@@H:68]([CH2:67][O:76][C:70]([CH2:64][CH2:61][CH2:58][CH2:55][CH2:52][CH2:49][CH2:46][CH2:43][CH2:41][CH2:38][CH2:36][CH2:34][CH2:32]/[CH:29]=[CH:26]\[CH2:23][CH2:20][CH2:17][CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:73])[O:77][C:71]([CH2:65][CH2:62][CH2:59][CH2:56][CH2:53][CH2:50]/[CH:47]=[CH:44]\[CH2:39]/[CH:30]=[CH:27]\[CH2:24]/[CH:21]=[CH:18]\[CH2:15]/[CH:12]=[CH:9]\[CH2:6][CH3:3])=[O:74] |
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