| Properties | Image |
|---|
| MNX_ID | MNXM186412 |
 |
| reference | slm:000154864 |
| formula | C55H94O6 |
| global charge | 0 |
| mol weight | 851.351 |
| InChIKey | URQUMBYNIDIUSR-RUACAKFISA-N |
| InChI | InChI=1S/C55H94O6/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-25-30-35-40-45-53(56)59-48-52(49-60-54(57)46-41-36-32-27-29-34-39-44-51(4)5)61-55(58)47-42-37-31-26-23-20-21-24-28-33-38-43-50(2)3/h7-8,10-11,13-14,16-17,19,22,30,35,50-52H,6,9,12,15,18,20-21,23-29,31-34,36-49H2,1-5H3/b8-7-,11-10-,14-13-,17-16-,22-19-,35-30-/t52-/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)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC(C)C |
MNX internals
| InChI (mnx) | InChI=1/C55H94O6/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-25-30-35-40-45-53(56)59-48-52(49-60-54(57)46-41-36-32-27-29-34-39-44-51(4)5)61-55(58)47-42-37-31-26-23-20-21-24-28-33-38-43-50(2)3/h7-8,10-11,13-14,16-17,19,22,30,35,50-52H,6,9,12,15,18,20-21,23-29,31-34,36-49H2,1-5H3/b8-7-,11-10-,14-13-,17-16-,22-19-,35-30-/t52-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:6]/[CH:7]=[CH:8]\[CH2:9]/[CH:10]=[CH:11]\[CH2:12]/[CH:13]=[CH:14]\[CH2:15]/[CH:16]=[CH:17]\[CH2:18]/[CH:19]=[CH:22]\[CH2:25]/[CH:30]=[CH:35]\[CH2:40][CH2:45][C:53](=[O:56])[O:59][CH2:48][C@@H:52]([CH2:49][O:60][C:54]([CH2:46][CH2:41][CH2:36][CH2:32][CH2:27][CH2:29][CH2:34][CH2:39][CH2:44][CH:51]([CH3:4])[CH3:5])=[O:57])[O:61][C:55]([CH2:47][CH2:42][CH2:37][CH2:31][CH2:26][CH2:23][CH2:20][CH2:21][CH2:24][CH2:28][CH2:33][CH2:38][CH2:43][CH:50]([CH3:2])[CH3:3])=[O:58] |
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