| Properties | Image |
|---|
| MNX_ID | MNXM196940 |
 |
| reference | slm:000287188 |
| formula | C71H118O6 |
| global charge | 0 |
| mol weight | 1067.719 |
| InChIKey | XXFAAMNCUPAQQF-WTCMBZKFSA-N |
| InChI | InChI=1S/C71H118O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-40-43-46-49-52-55-58-61-64-70(73)76-67-68(66-75-69(72)63-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)77-71(74)65-62-59-56-53-50-47-44-41-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,25-30,34,36,41,44,50,53,68H,4-7,10,13-16,19,22-24,31-33,35,37-40,42-43,45-49,51-52,54-67H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,28-25-,29-26-,30-27-,36-34-,44-41-,53-50-/t68-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)O[C@H](COC(=O)CCCCCCCCC/C=C\C/C=C\C/C=C\CC)COC(=O)CCCCCCCCCCCCC/C=C\CCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C71H118O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-40-43-46-49-52-55-58-61-64-70(73)76-67-68(66-75-69(72)63-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)77-71(74)65-62-59-56-53-50-47-44-41-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,25-30,34,36,41,44,50,53,68H,4-7,10,13-16,19,22-24,31-33,35,37-40,42-43,45-49,51-52,54-67H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,28-25-,29-26-,30-27-,36-34-,44-41-,53-50-/t68-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH2:13][CH2:16][CH2:19][CH2:22]/[CH:25]=[CH:28]\[CH2:31][CH2:33][CH2:35][CH2:37][CH2:40][CH2:43][CH2:46][CH2:49][CH2:52][CH2:55][CH2:58][CH2:61][CH2:64][C:70](=[O:73])[O:76][CH2:67][C@@H:68]([CH2:66][O:75][C:69]([CH2:63][CH2:60][CH2:57][CH2:54][CH2:51][CH2:48][CH2:45][CH2:42][CH2:39]/[CH:30]=[CH:27]\[CH2:24]/[CH:21]=[CH:18]\[CH2:15]/[CH:12]=[CH:9]\[CH2:6][CH3:3])=[O:72])[O:77][C:71]([CH2:65][CH2:62][CH2:59][CH2:56]/[CH:53]=[CH:50]\[CH2:47]/[CH:44]=[CH:41]\[CH2:38]/[CH:36]=[CH:34]\[CH2:32]/[CH:29]=[CH:26]\[CH2:23]/[CH:20]=[CH:17]\[CH2:14]/[CH:11]=[CH:8]\[CH2:5][CH3:2])=[O:74] |
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