| Properties | Image |
MNX_ID | MNXM178571 |
 |
reference | slm:000139240 |
formula | C52H92O6 |
global charge | 0 |
mol weight | 813.302 |
InChIKey | JCEKASHHFCASKX-JGSXEXRBSA-N |
InChI | InChI=1S/C52H92O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-52(55)58-49(47-56-50(53)44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)48-57-51(54)45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h11-12,14-15,20-21,23-24,49H,4-10,13,16-19,22,25-48H2,1-3H3/b14-11-,15-12-,23-20-,24-21- |
SMILES | CCC/C=C\C/C=C\CCCCCCCC(=O)OCC(COC(=O)CCCCCCC/C=C\C/C=C\CCC)OC(=O)CCCCCCCCCCCCCCCC |
MNX internals
InChI (mnx) | InChI=1/C52H92O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-52(55)58-49(47-56-50(53)44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)48-57-51(54)45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h11-12,14-15,20-21,23-24,49H,4-10,13,16-19,22,25-48H2,1-3H3/b14-11-,15-12-,23-20-,24-21- |
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SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH2:13][CH2:16][CH2:19][CH2:22][CH2:25][CH2:28][CH2:31][CH2:34][CH2:37][CH2:40][CH2:43][CH2:46][C:52](=[O:55])[O:58][CH:49]([CH2:47][O:56][C:50]([CH2:44][CH2:41][CH2:38][CH2:35][CH2:32][CH2:29][CH2:26]/[CH:23]=[CH:20]\[CH2:17]/[CH:14]=[CH:11]\[CH2:8][CH2:5][CH3:2])=[O:53])[CH2:48][O:57][C:51]([CH2:45][CH2:42][CH2:39][CH2:36][CH2:33][CH2:30][CH2:27]/[CH:24]=[CH:21]\[CH2:18]/[CH:15]=[CH:12]\[CH2:9][CH2:6][CH3:3])=[O:54] |
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