| Properties | Image |
MNX_ID | MNXM109632 |
 |
reference | slm:000134627 |
formula | C51H84O6 |
global charge | 0 |
mol weight | 793.227 |
InChIKey | ASLWOEAGOUIICQ-VNNCHTJISA-N |
InChI | InChI=1S/C51H84O6/c1-4-7-10-13-16-19-21-23-25-27-29-32-35-38-41-44-50(53)56-47-48(46-55-49(52)43-40-37-34-31-18-15-12-9-6-3)57-51(54)45-42-39-36-33-30-28-26-24-22-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,23-26,29,32,48H,4-6,9,12-15,18,21-22,27-28,30-31,33-47H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,25-23-,26-24-,32-29-/t48-/m1/s1 |
SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)OC[C@@H](COC(=O)CCCCCCCCCCC)OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC |
MNX internals
InChI (mnx) | InChI=1/C51H84O6/c1-4-7-10-13-16-19-21-23-25-27-29-32-35-38-41-44-50(53)56-47-48(46-55-49(52)43-40-37-34-31-18-15-12-9-6-3)57-51(54)45-42-39-36-33-30-28-26-24-22-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,23-26,29,32,48H,4-6,9,12-15,18,21-22,27-28,30-31,33-47H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,25-23-,26-24-,32-29-/t48-/m1/s1 |
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SMILES (mnx) | [CH3:1][CH2:4]/[CH:7]=[CH:10]\[CH2:13]/[CH:16]=[CH:19]\[CH2:21]/[CH:23]=[CH:25]\[CH2:27]/[CH:29]=[CH:32]\[CH2:35][CH2:38][CH2:41][CH2:44][C:50](=[O:53])[O:56][CH2:47][C@@H:48]([CH2:46][O:55][C:49]([CH2:43][CH2:40][CH2:37][CH2:34][CH2:31][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:52])[O:57][C:51]([CH2:45][CH2:42][CH2:39][CH2:36][CH2:33][CH2:30][CH2:28]/[CH:26]=[CH:24]\[CH2:22]/[CH:20]=[CH:17]\[CH2:14]/[CH:11]=[CH:8]\[CH2:5][CH3:2])=[O:54] |
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