| Properties | Image |
|---|
| MNX_ID | MNXM229963 |
 |
| reference | slm:000159641 |
| formula | C55H104O6 |
| global charge | 0 |
| mol weight | 861.431 |
| InChIKey | XTODONLLIHFBBC-ALCWLECESA-N |
| InChI | InChI=1S/C55H104O6/c1-5-7-9-11-13-15-17-18-19-20-21-22-23-27-30-34-38-42-46-53(56)59-49-52(61-55(58)48-44-40-36-32-25-16-14-12-10-8-6-2)50-60-54(57)47-43-39-35-31-28-24-26-29-33-37-41-45-51(3)4/h12,14,51-52H,5-11,13,15-50H2,1-4H3/b14-12-/t52-/m0/s1 |
| SMILES | CCCC/C=C\CCCCCCCC(=O)O[C@@H](COC(=O)CCCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCC(C)C |
MNX internals
| InChI (mnx) | InChI=1/C55H104O6/c1-5-7-9-11-13-15-17-18-19-20-21-22-23-27-30-34-38-42-46-53(56)59-49-52(61-55(58)48-44-40-36-32-25-16-14-12-10-8-6-2)50-60-54(57)47-43-39-35-31-28-24-26-29-33-37-41-45-51(3)4/h12,14,51-52H,5-11,13,15-50H2,1-4H3/b14-12-/t52-/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:27][CH2:30][CH2:34][CH2:38][CH2:42][CH2:46][C:53](=[O:56])[O:59][CH2:49][C@@H:52]([CH2:50][O:60][C:54]([CH2:47][CH2:43][CH2:39][CH2:35][CH2:31][CH2:28][CH2:24][CH2:26][CH2:29][CH2:33][CH2:37][CH2:41][CH2:45][CH:51]([CH3:3])[CH3:4])=[O:57])[O:61][C:55]([CH2:48][CH2:44][CH2:40][CH2:36][CH2:32][CH2:25][CH2:16]/[CH:14]=[CH:12]\[CH2:10][CH2:8][CH2:6][CH3:2])=[O:58] |
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