| Properties | Image |
|---|
| MNX_ID | MNXM213313 |
 |
| reference | slm:000147267 |
| formula | C54H90O6 |
| global charge | 0 |
| mol weight | 835.308 |
| InChIKey | NAFWFCVFDDWEAO-HDUCQLGGSA-N |
| InChI | InChI=1S/C54H90O6/c1-5-7-9-11-13-15-17-19-20-21-22-24-26-30-35-39-43-47-54(57)60-51(49-59-53(56)46-42-38-34-31-27-28-32-36-40-44-50(3)4)48-58-52(55)45-41-37-33-29-25-23-18-16-14-12-10-8-6-2/h7,9-10,12-13,15-16,18-20,22,24,30,35,50-51H,5-6,8,11,14,17,21,23,25-29,31-34,36-49H2,1-4H3/b9-7-,12-10-,15-13-,18-16-,20-19-,24-22-,35-30-/t51-/m0/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O[C@@H](COC(=O)CCCCCCC/C=C\C/C=C\CCC)COC(=O)CCCCCCCCCCCC(C)C |
MNX internals
| InChI (mnx) | InChI=1/C54H90O6/c1-5-7-9-11-13-15-17-19-20-21-22-24-26-30-35-39-43-47-54(57)60-51(49-59-53(56)46-42-38-34-31-27-28-32-36-40-44-50(3)4)48-58-52(55)45-41-37-33-29-25-23-18-16-14-12-10-8-6-2/h7,9-10,12-13,15-16,18-20,22,24,30,35,50-51H,5-6,8,11,14,17,21,23,25-29,31-34,36-49H2,1-4H3/b9-7-,12-10-,15-13-,18-16-,20-19-,24-22-,35-30-/t51-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:5]/[CH:7]=[CH:9]\[CH2:11]/[CH:13]=[CH:15]\[CH2:17]/[CH:19]=[CH:20]\[CH2:21]/[CH:22]=[CH:24]\[CH2:26]/[CH:30]=[CH:35]\[CH2:39][CH2:43][CH2:47][C:54](=[O:57])[O:60][C@@H:51]([CH2:48][O:58][C:52]([CH2:45][CH2:41][CH2:37][CH2:33][CH2:29][CH2:25][CH2:23]/[CH:18]=[CH:16]\[CH2:14]/[CH:12]=[CH:10]\[CH2:8][CH2:6][CH3:2])=[O:55])[CH2:49][O:59][C:53]([CH2:46][CH2:42][CH2:38][CH2:34][CH2:31][CH2:27][CH2:28][CH2:32][CH2:36][CH2:40][CH2:44][CH:50]([CH3:3])[CH3:4])=[O:56] |
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