| Properties | Image |
|---|
| MNX_ID | MNXM358346 |
 |
| reference | slm:000291834 |
| formula | C72H120O6 |
| global charge | 0 |
| mol weight | 1081.746 |
| InChIKey | WEIBDZZXKLCJLR-JRYCYCHUSA-N |
| InChI | InChI=1S/C72H120O6/c1-4-7-10-13-16-19-22-25-28-31-34-36-38-41-44-47-50-53-56-59-62-65-71(74)77-68-69(67-76-70(73)64-61-58-55-52-49-46-43-40-33-30-27-24-21-18-15-12-9-6-3)78-72(75)66-63-60-57-54-51-48-45-42-39-37-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-26,28-29,34-37,41-42,44-45,50,53,69H,4-7,9-10,12-15,18,21-24,27,30-33,38-40,43,46-49,51-52,54-68H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,29-26-,36-34-,37-35-,44-41-,45-42-,53-50-/t69-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCC(=O)O[C@@H](COC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C72H120O6/c1-4-7-10-13-16-19-22-25-28-31-34-36-38-41-44-47-50-53-56-59-62-65-71(74)77-68-69(67-76-70(73)64-61-58-55-52-49-46-43-40-33-30-27-24-21-18-15-12-9-6-3)78-72(75)66-63-60-57-54-51-48-45-42-39-37-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-26,28-29,34-37,41-42,44-45,50,53,69H,4-7,9-10,12-15,18,21-24,27,30-33,38-40,43,46-49,51-52,54-68H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,29-26-,36-34-,37-35-,44-41-,45-42-,53-50-/t69-/m1/s1 |
 |
| 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:34]=[CH:36]\[CH2:38]/[CH:41]=[CH:44]\[CH2:47]/[CH:50]=[CH:53]\[CH2:56][CH2:59][CH2:62][CH2:65][C:71](=[O:74])[O:77][CH2:68][C@@H:69]([CH2:67][O:76][C:70]([CH2:64][CH2:61][CH2:58][CH2:55][CH2:52][CH2:49][CH2:46][CH2:43][CH2:40][CH2:33][CH2:30][CH2:27][CH2:24][CH2:21][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:73])[O:78][C:72]([CH2:66][CH2:63][CH2:60][CH2:57][CH2:54][CH2:51][CH2:48]/[CH:45]=[CH:42]\[CH2:39]/[CH:37]=[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:75] |
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