| Properties | Image |
|---|
| MNX_ID | MNXM331182 |
 |
| reference | slm:000174446 |
| formula | C57H104O6 |
| global charge | 0 |
| mol weight | 885.453 |
| InChIKey | MCODLZXXLAGBEL-PPJSBXPRSA-N |
| InChI | InChI=1S/C57H104O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-31-23-20-17-14-11-8-5-2)53-62-56(59)50-47-44-41-38-35-32-24-21-18-15-12-9-6-3/h11,14,20-21,23-24,54H,4-10,12-13,15-19,22,25-53H2,1-3H3/b14-11-,23-20-,24-21-/t54-/m0/s1 |
| SMILES | CCC/C=C\C/C=C\CCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCC/C=C\CCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C57H104O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-31-23-20-17-14-11-8-5-2)53-62-56(59)50-47-44-41-38-35-32-24-21-18-15-12-9-6-3/h11,14,20-21,23-24,54H,4-10,12-13,15-19,22,25-53H2,1-3H3/b14-11-,23-20-,24-21-/t54-/m0/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][CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:33][CH2:36][CH2:39][CH2:42][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][CH2:37][CH2:34][CH2:31]/[CH:23]=[CH:20]\[CH2:17]/[CH:14]=[CH:11]\[CH2:8][CH2:5][CH3:2])=[O:58])[CH2:53][O:62][C:56]([CH2:50][CH2:47][CH2:44][CH2:41][CH2:38][CH2:35][CH2:32]/[CH:24]=[CH:21]\[CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:59] |
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