| Properties | Image |
MNX_ID | MNXM351041 |
 |
reference | slm:000144810 |
formula | C53H96O6 |
global charge | 0 |
mol weight | 829.345 |
InChIKey | OXAMSYPUJAVBTC-GQSZIJJUSA-N |
InChI | InChI=1S/C53H96O6/c1-4-7-10-13-16-19-21-23-24-25-26-27-28-30-31-34-37-40-43-46-52(55)58-49-50(48-57-51(54)45-42-39-36-33-18-15-12-9-6-3)59-53(56)47-44-41-38-35-32-29-22-20-17-14-11-8-5-2/h16,19,23-24,32,35,50H,4-15,17-18,20-22,25-31,33-34,36-49H2,1-3H3/b19-16-,24-23-,35-32-/t50-/m1/s1 |
SMILES | CCCCC/C=C\C/C=C\CCCCCCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCCCCCC)OC(=O)CCCC/C=C\CCCCCCCCC |
MNX internals
InChI (mnx) | InChI=1/C53H96O6/c1-4-7-10-13-16-19-21-23-24-25-26-27-28-30-31-34-37-40-43-46-52(55)58-49-50(48-57-51(54)45-42-39-36-33-18-15-12-9-6-3)59-53(56)47-44-41-38-35-32-29-22-20-17-14-11-8-5-2/h16,19,23-24,32,35,50H,4-15,17-18,20-22,25-31,33-34,36-49H2,1-3H3/b19-16-,24-23-,35-32-/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:24]\[CH2:25][CH2:26][CH2:27][CH2:28][CH2:30][CH2:31][CH2:34][CH2:37][CH2:40][CH2:43][CH2:46][C:52](=[O:55])[O:58][CH2:49][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])[O:59][C:53]([CH2:47][CH2:44][CH2:41][CH2:38]/[CH:35]=[CH:32]\[CH2:29][CH2:22][CH2:20][CH2:17][CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:56] |
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