| Properties | Image |
|---|
| MNX_ID | MNXM214111 |
 |
| reference | slm:000140285 |
| formula | C52H94O6 |
| global charge | 0 |
| mol weight | 815.318 |
| InChIKey | VRVQIAPHLUMKOO-CEQCGRFLSA-N |
| InChI | InChI=1S/C52H94O6/c1-5-7-9-11-13-15-17-19-20-22-24-28-33-37-41-45-52(55)58-49(47-57-51(54)44-40-36-32-29-25-26-30-34-38-42-48(3)4)46-56-50(53)43-39-35-31-27-23-21-18-16-14-12-10-8-6-2/h15-20,48-49H,5-14,21-47H2,1-4H3/b17-15+,18-16-,20-19-/t49-/m0/s1 |
| SMILES | CCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCC/C=C\C=C\CCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C52H94O6/c1-5-7-9-11-13-15-17-19-20-22-24-28-33-37-41-45-52(55)58-49(47-57-51(54)44-40-36-32-29-25-26-30-34-38-42-48(3)4)46-56-50(53)43-39-35-31-27-23-21-18-16-14-12-10-8-6-2/h15-20,48-49H,5-14,21-47H2,1-4H3/b17-15+,18-16-,20-19-/t49-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13]/[CH:15]=[CH:17]/[CH:19]=[CH:20]\[CH2:22][CH2:24][CH2:28][CH2:33][CH2:37][CH2:41][CH2:45][C:52](=[O:55])[O:58][C@@H:49]([CH2:46][O:56][C:50]([CH2:43][CH2:39][CH2:35][CH2:31][CH2:27][CH2:23][CH2:21]/[CH:18]=[CH:16]\[CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH3:2])=[O:53])[CH2:47][O:57][C:51]([CH2:44][CH2:40][CH2:36][CH2:32][CH2:29][CH2:25][CH2:26][CH2:30][CH2:34][CH2:38][CH2:42][CH:48]([CH3:3])[CH3:4])=[O:54] |
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