| Properties | Image |
MNX_ID | MNXM331491 |
 |
reference | slm:000136363 |
formula | C51H92O6 |
global charge | 0 |
mol weight | 801.291 |
InChIKey | QXAZQSUCKQGYHI-NKGDXMLJSA-N |
InChI | InChI=1S/C51H92O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-49(52)55-46-48(57-51(54)45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)47-56-50(53)44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h10,13,19-20,22-23,48H,4-9,11-12,14-18,21,24-47H2,1-3H3/b13-10-,22-19-,23-20-/t48-/m0/s1 |
SMILES | CCC/C=C\C/C=C\CCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCC/C=C\CCCCCC)OC(=O)CCCCCCCCCCCCCCC |
MNX internals
InChI (mnx) | InChI=1/C51H92O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-49(52)55-46-48(57-51(54)45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)47-56-50(53)44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h10,13,19-20,22-23,48H,4-9,11-12,14-18,21,24-47H2,1-3H3/b13-10-,22-19-,23-20-/t48-/m0/s1 |
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SMILES (mnx) | [CH3:1][CH2:4][CH2:7]/[CH:10]=[CH:13]\[CH2:16]/[CH:19]=[CH:22]\[CH2:25][CH2:28][CH2:31][CH2:34][CH2:37][CH2:40][CH2:43][C:49](=[O:52])[O:55][CH2:46][C@@H:48]([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][CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:53])[O:57][C:51]([CH2:45][CH2:42][CH2:39][CH2:36][CH2:33][CH2:30][CH2:27][CH2:24][CH2:21][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:54] |
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