| Properties | Image |
|---|
| MNX_ID | MNXM183359 |
 |
| reference | slm:000285216 |
| formula | C71H112O6 |
| global charge | 0 |
| mol weight | 1061.671 |
| InChIKey | BZXGVEDJHIOJBN-QTVFWNCBSA-N |
| InChI | InChI=1S/C71H112O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-41-44-47-50-53-56-59-62-65-71(74)77-68(66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2)67-76-70(73)64-61-58-55-52-49-46-43-40-37-33-30-27-24-21-18-15-12-9-6-3/h8,11,16-21,25-30,34-37,39-41,44-45,48,50,53,68H,4-7,9-10,12-15,22-24,31-33,38,42-43,46-47,49,51-52,54-67H2,1-3H3/b11-8-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,35-34-,39-36-,40-37-,44-41-,48-45-,53-50-/t68-/m0/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)OC[C@@H](COC(=O)CCCCCCCC/C=C\C/C=C\C/C=C\CCCCC)OC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C71H112O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-41-44-47-50-53-56-59-62-65-71(74)77-68(66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2)67-76-70(73)64-61-58-55-52-49-46-43-40-37-33-30-27-24-21-18-15-12-9-6-3/h8,11,16-21,25-30,34-37,39-41,44-45,48,50,53,68H,4-7,9-10,12-15,22-24,31-33,38,42-43,46-47,49,51-52,54-67H2,1-3H3/b11-8-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,35-34-,39-36-,40-37-,44-41-,48-45-,53-50-/t68-/m0/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:35]\[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][C@@H:68]([CH2:66][O:75][C:69]([CH2:63][CH2:60][CH2:57][CH2:54][CH2:51]/[CH:48]=[CH:45]\[CH2:42]/[CH:39]=[CH:36]\[CH2:32]/[CH:29]=[CH:26]\[CH2:23]/[CH:20]=[CH:17]\[CH2:14]/[CH:11]=[CH:8]\[CH2:5][CH3:2])=[O:72])[CH2:67][O:76][C:70]([CH2:64][CH2:61][CH2:58][CH2:55][CH2:52][CH2:49][CH2:46][CH2:43]/[CH:40]=[CH:37]\[CH2:33]/[CH:30]=[CH:27]\[CH2:24]/[CH:21]=[CH:18]\[CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:73] |
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