| Properties | Image |
MNX_ID | MNXM178657 |
 |
reference | slm:000140982 |
formula | C52H96O6 |
global charge | 0 |
mol weight | 817.334 |
InChIKey | KYMIWXTUDUBUGW-WRBBJXAJSA-N |
InChI | InChI=1S/C52H96O6/c1-5-7-9-11-13-15-17-19-21-23-25-27-31-35-39-43-50(53)56-46-49(58-52(55)45-41-37-33-29-30-34-38-42-48(3)4)47-57-51(54)44-40-36-32-28-26-24-22-20-18-16-14-12-10-8-6-2/h19-22,48-49H,5-18,23-47H2,1-4H3/b21-19-,22-20- |
SMILES | CCCCCCCC/C=C\CCCCCCCC(=O)OCC(COC(=O)CCCCCCC/C=C\CCCCCCCC)OC(=O)CCCCCCCCCC(C)C |
MNX internals
InChI (mnx) | InChI=1/C52H96O6/c1-5-7-9-11-13-15-17-19-21-23-25-27-31-35-39-43-50(53)56-46-49(58-52(55)45-41-37-33-29-30-34-38-42-48(3)4)47-57-51(54)44-40-36-32-28-26-24-22-20-18-16-14-12-10-8-6-2/h19-22,48-49H,5-18,23-47H2,1-4H3/b21-19-,22-20- |
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SMILES (mnx) | [CH3:1][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15][CH2:17]/[CH:19]=[CH:21]\[CH2:23][CH2:25][CH2:27][CH2:31][CH2:35][CH2:39][CH2:43][C:50](=[O:53])[O:56][CH2:46][CH:49]([CH2:47][O:57][C:51]([CH2:44][CH2:40][CH2:36][CH2:32][CH2:28][CH2:26][CH2:24]/[CH:22]=[CH:20]\[CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH3:2])=[O:54])[O:58][C:52]([CH2:45][CH2:41][CH2:37][CH2:33][CH2:29][CH2:30][CH2:34][CH2:38][CH2:42][CH:48]([CH3:3])[CH3:4])=[O:55] |
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