| Properties | Image |
|---|
| MNX_ID | MNXM196684 |
 |
| reference | slm:000276577 |
| formula | C69H114O6 |
| global charge | 0 |
| mol weight | 1039.665 |
| InChIKey | WNIPJHJRGYEMOL-IWYINLGGSA-N |
| InChI | InChI=1S/C69H114O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)75-69(72)63-60-57-54-51-48-45-42-39-35-32-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,25-30,35,39,45,48,54,57,66H,4-7,10,13-16,19,22-24,31-34,36-38,40-44,46-47,49-53,55-56,58-65H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,28-25-,29-26-,30-27-,39-35-,48-45-,57-54-/t66-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=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/C69H114O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)75-69(72)63-60-57-54-51-48-45-42-39-35-32-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,25-30,35,39,45,48,54,57,66H,4-7,10,13-16,19,22-24,31-34,36-38,40-44,46-47,49-53,55-56,58-65H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,28-25-,29-26-,30-27-,39-35-,48-45-,57-54-/t66-/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][CH2:34][CH2:36][CH2:38][CH2:41][CH2:44][CH2:47][CH2:50][CH2:53][CH2:56][CH2:59][CH2:62][C:68](=[O:71])[O:74][CH2:65][C@@H:66]([CH2:64][O:73][C:67]([CH2:61][CH2:58][CH2:55][CH2:52][CH2:49][CH2:46][CH2:43][CH2:40][CH2:37]/[CH:30]=[CH:27]\[CH2:24]/[CH:21]=[CH:18]\[CH2:15]/[CH:12]=[CH:9]\[CH2:6][CH3:3])=[O:70])[O:75][C:69]([CH2:63][CH2:60]/[CH:57]=[CH:54]\[CH2:51]/[CH:48]=[CH:45]\[CH2:42]/[CH:39]=[CH:35]\[CH2:32]/[CH:29]=[CH:26]\[CH2:23]/[CH:20]=[CH:17]\[CH2:14]/[CH:11]=[CH:8]\[CH2:5][CH3:2])=[O:72] |
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