| Properties | Image |
|---|
| MNX_ID | MNXM309404 |
 |
| reference | slm:000275832 |
| formula | C69H112O6 |
| global charge | 0 |
| mol weight | 1037.649 |
| InChIKey | CGGOISLMJBIMSK-GLLSHKBHSA-N |
| InChI | InChI=1S/C69H112O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65-66(64-73-67(70)61-58-55-52-49-46-43-40-27-24-21-18-15-12-9-6-3)75-69(72)63-60-57-54-51-48-45-42-39-37-35-33-31-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-21,24-29,32-35,38-42,66H,4-7,9-10,12-15,18,22-23,30-31,36-37,43-65H2,1-3H3/b11-8-,19-16-,20-17-,24-21+,28-25-,29-26-,34-32-,35-33-,40-27-,41-38-,42-39-/t66-/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)CCCCCCC/C=C\C=C\CCCCCC)COC(=O)CCCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C69H112O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65-66(64-73-67(70)61-58-55-52-49-46-43-40-27-24-21-18-15-12-9-6-3)75-69(72)63-60-57-54-51-48-45-42-39-37-35-33-31-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-21,24-29,32-35,38-42,66H,4-7,9-10,12-15,18,22-23,30-31,36-37,43-65H2,1-3H3/b11-8-,19-16-,20-17-,24-21+,28-25-,29-26-,34-32-,35-33-,40-27-,41-38-,42-39-/t66-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH2:13]/[CH:16]=[CH:19]\[CH2:22]/[CH:25]=[CH:28]\[CH2:30]/[CH:32]=[CH:34]\[CH2:36]/[CH:38]=[CH: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]/[CH:40]=[CH:27]\[CH:24]=[CH:21]\[CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:70])[O:75][C:69]([CH2:63][CH2:60][CH2:57][CH2:54][CH2:51][CH2:48][CH2:45]/[CH:42]=[CH:39]\[CH2:37]/[CH:35]=[CH:33]\[CH2:31]/[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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