| Properties | Image |
|---|
| MNX_ID | MNXM203173 |
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| reference | slm:000141708 |
| formula | C52H98O6 |
| global charge | 0 |
| mol weight | 819.35 |
| InChIKey | IHEXNDBRDBYVKS-XYZHQKTPSA-N |
| InChI | InChI=1S/C52H98O6/c1-5-7-9-11-13-15-17-18-19-20-21-22-24-28-32-36-40-44-51(54)57-47-49(46-56-50(53)43-39-35-31-27-23-16-14-12-10-8-6-2)58-52(55)45-41-37-33-29-25-26-30-34-38-42-48(3)4/h18-19,48-49H,5-17,20-47H2,1-4H3/b19-18-/t49-/m0/s1 |
| SMILES | CCCCCCCC/C=C\CCCCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCC(C)C |
MNX internals
| InChI (mnx) | InChI=1/C52H98O6/c1-5-7-9-11-13-15-17-18-19-20-21-22-24-28-32-36-40-44-51(54)57-47-49(46-56-50(53)43-39-35-31-27-23-16-14-12-10-8-6-2)58-52(55)45-41-37-33-29-25-26-30-34-38-42-48(3)4/h18-19,48-49H,5-17,20-47H2,1-4H3/b19-18-/t49-/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15][CH2:17]/[CH:18]=[CH:19]\[CH2:20][CH2:21][CH2:22][CH2:24][CH2:28][CH2:32][CH2:36][CH2:40][CH2:44][C:51](=[O:54])[O:57][CH2:47][C@H:49]([CH2:46][O:56][C:50]([CH2:43][CH2:39][CH2:35][CH2:31][CH2:27][CH2:23][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH3:2])=[O:53])[O:58][C:52]([CH2:45][CH2:41][CH2:37][CH2:33][CH2:29][CH2:25][CH2:26][CH2:30][CH2:34][CH2:38][CH2:42][CH:48]([CH3:3])[CH3:4])=[O:55] |
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