| Properties | Image |
MNX_ID | MNXM351395 |
 |
reference | slm:000143339 |
formula | C53H92O6 |
global charge | 0 |
mol weight | 825.313 |
InChIKey | FQOQSXCSZGGGND-FDRJDSSNSA-N |
InChI | InChI=1S/C53H92O6/c1-4-7-10-13-16-19-21-23-25-26-28-30-32-35-38-41-44-47-53(56)59-50(48-57-51(54)45-42-39-36-33-18-15-12-9-6-3)49-58-52(55)46-43-40-37-34-31-29-27-24-22-20-17-14-11-8-5-2/h16-17,19-20,23-25,27-28,30,50H,4-15,18,21-22,26,29,31-49H2,1-3H3/b19-16-,20-17-,25-23-,27-24-,30-28-/t50-/m1/s1 |
SMILES | CCCCC/C=C\C/C=C\C/C=C\CCCCCCC(=O)O[C@@H](COC(=O)CCCCCCC/C=C\C/C=C\CCCCC)COC(=O)CCCCCCCCCCC |
MNX internals
InChI (mnx) | InChI=1/C53H92O6/c1-4-7-10-13-16-19-21-23-25-26-28-30-32-35-38-41-44-47-53(56)59-50(48-57-51(54)45-42-39-36-33-18-15-12-9-6-3)49-58-52(55)46-43-40-37-34-31-29-27-24-22-20-17-14-11-8-5-2/h16-17,19-20,23-25,27-28,30,50H,4-15,18,21-22,26,29,31-49H2,1-3H3/b19-16-,20-17-,25-23-,27-24-,30-28-/t50-/m1/s1 |
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SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH2:13]/[CH:16]=[CH:19]\[CH2:21]/[CH:23]=[CH:25]\[CH2:26]/[CH:28]=[CH:30]\[CH2:32][CH2:35][CH2:38][CH2:41][CH2:44][CH2:47][C:53](=[O:56])[O:59][C@H:50]([CH2:48][O:57][C:51]([CH2:45][CH2:42][CH2:39][CH2:36][CH2:33][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:54])[CH2:49][O:58][C:52]([CH2:46][CH2:43][CH2:40][CH2:37][CH2:34][CH2:31][CH2:29]/[CH:27]=[CH:24]\[CH2:22]/[CH:20]=[CH:17]\[CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:55] |
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