| Properties | Image |
|---|
| MNX_ID | MNXM112157 |
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| reference | slm:000165134 |
| formula | C56H102O6 |
| global charge | 0 |
| mol weight | 871.426 |
| InChIKey | MMIUAFXTHLIRFK-VMCCCXHFSA-N |
| InChI | InChI=1S/C56H102O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-55(58)61-52-53(51-60-54(57)48-45-42-39-36-33-30-24-21-18-15-12-9-6-3)62-56(59)50-47-44-41-38-35-32-28-26-23-20-17-14-11-8-5-2/h17,20,26,28,35,38,53H,4-16,18-19,21-25,27,29-34,36-37,39-52H2,1-3H3/b20-17-,28-26-,38-35-/t53-/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\CCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C56H102O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-55(58)61-52-53(51-60-54(57)48-45-42-39-36-33-30-24-21-18-15-12-9-6-3)62-56(59)50-47-44-41-38-35-32-28-26-23-20-17-14-11-8-5-2/h17,20,26,28,35,38,53H,4-16,18-19,21-25,27,29-34,36-37,39-52H2,1-3H3/b20-17-,28-26-,38-35-/t53-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH2:13][CH2:16][CH2:19][CH2:22][CH2:25][CH2:27][CH2:29][CH2:31][CH2:34][CH2:37][CH2:40][CH2:43][CH2:46][CH2:49][C:55](=[O:58])[O:61][CH2:52][C@@H:53]([CH2:51][O:60][C:54]([CH2:48][CH2:45][CH2:42][CH2:39][CH2:36][CH2:33][CH2:30][CH2:24][CH2:21][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:57])[O:62][C:56]([CH2:50][CH2:47][CH2:44][CH2:41]/[CH:38]=[CH:35]\[CH2:32]/[CH:28]=[CH:26]\[CH2:23]/[CH:20]=[CH:17]\[CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:59] |
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