| Properties | Image |
|---|
| MNX_ID | MNXM285439 |
 |
| reference | slm:000166209 |
| formula | C57H92O6 |
| global charge | 0 |
| mol weight | 873.357 |
| InChIKey | LNQKKHOUFRCMMJ-CVTFNUOASA-N |
| InChI | InChI=1S/C57H92O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-27,29-30,33-35,37-39,42,54H,4-6,8-9,11-15,18,21-24,28,31-32,36,40-41,43-53H2,1-3H3/b10-7-,19-16-,20-17-,27-25-,29-26-,33-30-,37-34-,38-35-,42-39-/t54-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O[C@@H](COC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCCC/C=C\CCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C57H92O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-27,29-30,33-35,37-39,42,54H,4-6,8-9,11-15,18,21-24,28,31-32,36,40-41,43-53H2,1-3H3/b10-7-,19-16-,20-17-,27-25-,29-26-,33-30-,37-34-,38-35-,42-39-/t54-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:4]/[CH:7]=[CH:10]\[CH2:13]/[CH:16]=[CH:19]\[CH2:22]/[CH:25]=[CH:27]\[CH2:28]/[CH:30]=[CH:33]\[CH2:36]/[CH:39]=[CH:42]\[CH2:45][CH2:48][CH2:51][C:57](=[O:60])[O:63][C@H:54]([CH2:52][O:61][C:55]([CH2:49][CH2:46][CH2:43][CH2:40]/[CH:37]=[CH:34]\[CH2:31][CH2:24][CH2:21][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:58])[CH2:53][O:62][C:56]([CH2:50][CH2:47][CH2:44][CH2:41]/[CH:38]=[CH:35]\[CH2:32]/[CH:29]=[CH:26]\[CH2:23]/[CH:20]=[CH:17]\[CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:59] |
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