| Properties | Image |
|---|
| MNX_ID | MNXM276580 |
 |
| reference | slm:000170762 |
| formula | C57H98O6 |
| global charge | 0 |
| mol weight | 879.405 |
| InChIKey | MCTGNKIZGUMZLC-DCLZTEKYSA-N |
| InChI | InChI=1S/C57H98O6/c1-4-7-10-13-16-19-21-23-25-26-27-28-29-30-32-34-36-39-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-37-18-15-12-9-6-3)52-61-55(58)49-46-43-40-38-35-33-31-24-22-20-17-14-11-8-5-2/h16,19-20,22-23,25,27-28,30,32,36,39,54H,4-15,17-18,21,24,26,29,31,33-35,37-38,40-53H2,1-3H3/b19-16-,22-20-,25-23-,28-27-,32-30-,39-36-/t54-/m0/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)OC[C@H](COC(=O)CCCCCCCCC/C=C\CCCCCC)OC(=O)CCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C57H98O6/c1-4-7-10-13-16-19-21-23-25-26-27-28-29-30-32-34-36-39-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-37-18-15-12-9-6-3)52-61-55(58)49-46-43-40-38-35-33-31-24-22-20-17-14-11-8-5-2/h16,19-20,22-23,25,27-28,30,32,36,39,54H,4-15,17-18,21,24,26,29,31,33-35,37-38,40-53H2,1-3H3/b19-16-,22-20-,25-23-,28-27-,32-30-,39-36-/t54-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH2:13]/[CH:16]=[CH:19]\[CH2:21]/[CH:23]=[CH:25]\[CH2:26]/[CH:27]=[CH:28]\[CH2:29]/[CH:30]=[CH:32]\[CH2:34]/[CH:36]=[CH:39]\[CH2:41][CH2:44][CH2:47][CH2:50][C:56](=[O:59])[O:62][CH2:53][C@H:54]([CH2:52][O:61][C:55]([CH2:49][CH2:46][CH2:43][CH2:40][CH2:38][CH2:35][CH2:33][CH2:31][CH2:24]/[CH:22]=[CH:20]\[CH2:17][CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:58])[O:63][C:57]([CH2:51][CH2:48][CH2:45][CH2:42][CH2:37][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:60] |
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