| Properties | Image |
MNX_ID | MNXM276523 |
 |
reference | slm:000286673 |
formula | C71H116O6 |
global charge | 0 |
mol weight | 1065.703 |
InChIKey | KKDYDGOZEGTMGW-DELMTQOSSA-N |
InChI | InChI=1S/C71H116O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-40-43-46-49-52-55-58-61-64-70(73)76-67-68(77-71(74)65-62-59-56-53-50-47-44-41-37-33-30-27-24-21-18-15-12-9-6-3)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/h8,11,16-17,19-20,25-26,28-29,34-36,39-40,43,45,48-49,52,54,57,68H,4-7,9-10,12-15,18,21-24,27,30-33,37-38,41-42,44,46-47,50-51,53,55-56,58-67H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,29-26-,35-34-,39-36-,43-40-,48-45-,52-49-,57-54-/t68-/m0/s1 |
SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)OC[C@@H](COC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC |
MNX internals
InChI (mnx) | InChI=1/C71H116O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-40-43-46-49-52-55-58-61-64-70(73)76-67-68(77-71(74)65-62-59-56-53-50-47-44-41-37-33-30-27-24-21-18-15-12-9-6-3)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/h8,11,16-17,19-20,25-26,28-29,34-36,39-40,43,45,48-49,52,54,57,68H,4-7,9-10,12-15,18,21-24,27,30-33,37-38,41-42,44,46-47,50-51,53,55-56,58-67H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,29-26-,35-34-,39-36-,43-40-,48-45-,52-49-,57-54-/t68-/m0/s1 |
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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:34]=[CH:35]\[CH2:38]/[CH:40]=[CH:43]\[CH2:46]/[CH:49]=[CH: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]/[CH:57]=[CH: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])[O:77][C:71]([CH2:65][CH2:62][CH2:59][CH2:56][CH2:53][CH2:50][CH2:47][CH2:44][CH2:41][CH2:37][CH2:33][CH2:30][CH2:27][CH2:24][CH2:21][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:74] |
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