| Properties | Image |
MNX_ID | MNXM178461 |
 |
reference | slm:000287335 |
formula | C71H118O6 |
global charge | 0 |
mol weight | 1067.719 |
InChIKey | MXCOJJUGNNFQPU-SMRXJXMBSA-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/h16-21,25-30,33-36,40-43,68H,4-15,22-24,31-32,37-39,44-67H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,35-33-,36-34-,42-40-,43-41- |
SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OCC(COC(=O)CCCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)OC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC |
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/h16-21,25-30,33-36,40-43,68H,4-15,22-24,31-32,37-39,44-67H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,35-33-,36-34-,42-40-,43-41- |
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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][CH2:48][CH2:51][CH2:54][CH2:57][CH2:60][CH2:63][C:69](=[O:72])[O:75][CH2:66][CH:68]([CH2:67][O:76][C:70]([CH2:64][CH2:61][CH2:58][CH2:55][CH2:52][CH2:49][CH2:46]/[CH:43]=[CH:41]\[CH2:38]/[CH:36]=[CH:34]\[CH2:32]/[CH:29]=[CH:26]\[CH2:23]/[CH:20]=[CH: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][CH2:47][CH2:44][CH2:39]/[CH:30]=[CH:27]\[CH2:24]/[CH:21]=[CH:18]\[CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:74] |
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