| Properties | Image |
|---|
| MNX_ID | MNXM185940 |
 |
| reference | slm:000145933 |
| formula | C53H98O6 |
| global charge | 0 |
| mol weight | 831.361 |
| InChIKey | XPYSNTKRMHYDPJ-PFZNCXMWSA-N |
| InChI | InChI=1S/C53H98O6/c1-6-7-8-9-10-11-12-13-14-15-16-17-20-24-29-35-40-45-53(56)59-50(47-58-52(55)44-39-34-30-25-27-32-37-42-49(4)5)46-57-51(54)43-38-33-28-23-21-18-19-22-26-31-36-41-48(2)3/h10-11,13-14,48-50H,6-9,12,15-47H2,1-5H3/b11-10-,14-13-/t50-/m0/s1 |
| SMILES | CCCCC/C=C\C/C=C\CCCCCCCCCC(=O)O[C@@H](COC(=O)CCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCC(C)C |
MNX internals
| InChI (mnx) | InChI=1/C53H98O6/c1-6-7-8-9-10-11-12-13-14-15-16-17-20-24-29-35-40-45-53(56)59-50(47-58-52(55)44-39-34-30-25-27-32-37-42-49(4)5)46-57-51(54)43-38-33-28-23-21-18-19-22-26-31-36-41-48(2)3/h10-11,13-14,48-50H,6-9,12,15-47H2,1-5H3/b11-10-,14-13-/t50-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:6][CH2:7][CH2:8][CH2:9]/[CH:10]=[CH:11]\[CH2:12]/[CH:13]=[CH:14]\[CH2:15][CH2:16][CH2:17][CH2:20][CH2:24][CH2:29][CH2:35][CH2:40][CH2:45][C:53](=[O:56])[O:59][C@@H:50]([CH2:46][O:57][C:51]([CH2:43][CH2:38][CH2:33][CH2:28][CH2:23][CH2:21][CH2:18][CH2:19][CH2:22][CH2:26][CH2:31][CH2:36][CH2:41][CH:48]([CH3:2])[CH3:3])=[O:54])[CH2:47][O:58][C:52]([CH2:44][CH2:39][CH2:34][CH2:30][CH2:25][CH2:27][CH2:32][CH2:37][CH2:42][CH:49]([CH3:4])[CH3:5])=[O:55] |
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