| Properties | Image |
|---|
| MNX_ID | MNXM178454 |
 |
| reference | slm:000306332 |
| formula | C81H138O6 |
| global charge | 0 |
| mol weight | 1207.989 |
| InChIKey | LYDUFRZSQMXVHS-HADMZULRSA-N |
| InChI | InChI=1S/C81H138O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-38-39-40-41-42-45-48-51-54-57-60-63-66-69-72-75-81(84)87-78(76-85-79(82)73-70-67-64-61-58-55-52-49-46-43-35-32-29-26-23-20-17-14-11-8-5-2)77-86-80(83)74-71-68-65-62-59-56-53-50-47-44-36-33-30-27-24-21-18-15-12-9-6-3/h8-9,11-12,17-18,20-21,26-27,29-30,35-36,43-44,49-50,52-53,78H,4-7,10,13-16,19,22-25,28,31-34,37-42,45-48,51,54-77H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,29-26-,30-27-,43-35-,44-36-,52-49-,53-50- |
| SMILES | CC/C=C\C/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\C/C=C\CC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C81H138O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-38-39-40-41-42-45-48-51-54-57-60-63-66-69-72-75-81(84)87-78(76-85-79(82)73-70-67-64-61-58-55-52-49-46-43-35-32-29-26-23-20-17-14-11-8-5-2)77-86-80(83)74-71-68-65-62-59-56-53-50-47-44-36-33-30-27-24-21-18-15-12-9-6-3/h8-9,11-12,17-18,20-21,26-27,29-30,35-36,43-44,49-50,52-53,78H,4-7,10,13-16,19,22-25,28,31-34,37-42,45-48,51,54-77H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,29-26-,30-27-,43-35-,44-36-,52-49-,53-50- |
 |
| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH2:13][CH2:16][CH2:19][CH2:22][CH2:25][CH2:28][CH2:31][CH2:34][CH2:37][CH2:38][CH2:39][CH2:40][CH2:41][CH2:42][CH2:45][CH2:48][CH2:51][CH2:54][CH2:57][CH2:60][CH2:63][CH2:66][CH2:69][CH2:72][CH2:75][C:81](=[O:84])[O:87][CH:78]([CH2:76][O:85][C:79]([CH2:73][CH2:70][CH2:67][CH2:64][CH2:61][CH2:58][CH2:55]/[CH:52]=[CH:49]\[CH2:46]/[CH:43]=[CH:35]\[CH2:32]/[CH:29]=[CH:26]\[CH2:23]/[CH:20]=[CH:17]\[CH2:14]/[CH:11]=[CH:8]\[CH2:5][CH3:2])=[O:82])[CH2:77][O:86][C:80]([CH2:74][CH2:71][CH2:68][CH2:65][CH2:62][CH2:59][CH2:56]/[CH:53]=[CH:50]\[CH2:47]/[CH:44]=[CH:36]\[CH2:33]/[CH:30]=[CH:27]\[CH2:24]/[CH:21]=[CH:18]\[CH2:15]/[CH:12]=[CH:9]\[CH2:6][CH3:3])=[O:83] |
|