| Properties | Image |
|---|
| MNX_ID | MNXM276789 |
 |
| reference | slm:000254455 |
| formula | C66H108O6 |
| global charge | 0 |
| mol weight | 997.584 |
| InChIKey | PMABUYBMDVSUHX-AOCWVUCHSA-N |
| InChI | InChI=1S/C66H108O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-39-42-44-47-50-53-56-59-65(68)71-62-63(72-66(69)60-57-54-51-48-45-40-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-41-38-36-34-31-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-26,28-29,32-34,36-37,39,41,43-44,47,63H,4-7,9-10,12-15,18,21-24,27,30-31,35,38,40,42,45-46,48-62H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,29-26-,33-32-,36-34-,39-37-,43-41-,47-44-/t63-/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)CCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC)OC(=O)CCCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C66H108O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-39-42-44-47-50-53-56-59-65(68)71-62-63(72-66(69)60-57-54-51-48-45-40-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-41-38-36-34-31-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-26,28-29,32-34,36-37,39,41,43-44,47,63H,4-7,9-10,12-15,18,21-24,27,30-31,35,38,40,42,45-46,48-62H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,29-26-,33-32-,36-34-,39-37-,43-41-,47-44-/t63-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH2:13]/[CH:16]=[CH:19]\[CH2:22]/[CH:25]=[CH:28]\[CH2:30]/[CH:32]=[CH:33]\[CH2:35]/[CH:37]=[CH:39]\[CH2:42]/[CH:44]=[CH:47]\[CH2:50][CH2:53][CH2:56][CH2:59][C:65](=[O:68])[O:71][CH2:62][C@H:63]([CH2:61][O:70][C:64]([CH2:58][CH2:55][CH2:52][CH2:49][CH2:46]/[CH:43]=[CH:41]\[CH2:38]/[CH:36]=[CH:34]\[CH2:31]/[CH:29]=[CH:26]\[CH2:23]/[CH:20]=[CH:17]\[CH2:14]/[CH:11]=[CH:8]\[CH2:5][CH3:2])=[O:67])[O:72][C:66]([CH2:60][CH2:57][CH2:54][CH2:51][CH2:48][CH2:45][CH2:40][CH2:27][CH2:24][CH2:21][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:69] |
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