| Properties | Image |
|---|
| MNX_ID | MNXM215193 |
 |
| reference | slm:000145587 |
| formula | C53H98O6 |
| global charge | 0 |
| mol weight | 831.361 |
| InChIKey | CGNCEMGBUOEHBJ-AYJDSUIXSA-N |
| InChI | InChI=1S/C53H98O6/c1-5-7-9-11-13-15-17-19-20-21-23-25-29-34-38-42-46-53(56)59-50(48-58-52(55)45-41-37-33-30-26-27-31-35-39-43-49(3)4)47-57-51(54)44-40-36-32-28-24-22-18-16-14-12-10-8-6-2/h10,12,16,18,49-50H,5-9,11,13-15,17,19-48H2,1-4H3/b12-10-,18-16-/t50-/m0/s1 |
| SMILES | CCC/C=C\C/C=C\CCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C53H98O6/c1-5-7-9-11-13-15-17-19-20-21-23-25-29-34-38-42-46-53(56)59-50(48-58-52(55)45-41-37-33-30-26-27-31-35-39-43-49(3)4)47-57-51(54)44-40-36-32-28-24-22-18-16-14-12-10-8-6-2/h10,12,16,18,49-50H,5-9,11,13-15,17,19-48H2,1-4H3/b12-10-,18-16-/t50-/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15][CH2:17][CH2:19][CH2:20][CH2:21][CH2:23][CH2:25][CH2:29][CH2:34][CH2:38][CH2:42][CH2:46][C:53](=[O:56])[O:59][C@@H:50]([CH2:47][O:57][C:51]([CH2:44][CH2:40][CH2:36][CH2:32][CH2:28][CH2:24][CH2:22]/[CH:18]=[CH:16]\[CH2:14]/[CH:12]=[CH:10]\[CH2:8][CH2:6][CH3:2])=[O:54])[CH2:48][O:58][C:52]([CH2:45][CH2:41][CH2:37][CH2:33][CH2:30][CH2:26][CH2:27][CH2:31][CH2:35][CH2:39][CH2:43][CH:49]([CH3:3])[CH3:4])=[O:55] |
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