| Properties | Image |
|---|
| MNX_ID | MNXM230998 |
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| reference | slm:000143982 |
| formula | C53H94O6 |
| global charge | 0 |
| mol weight | 827.329 |
| InChIKey | WZVKXBNEWKMRQY-SOXNTDQNSA-N |
| InChI | InChI=1S/C53H94O6/c1-5-7-9-11-13-15-17-18-19-20-21-22-25-29-32-36-40-44-51(54)57-47-50(59-53(56)46-42-38-34-28-16-14-12-10-8-6-2)48-58-52(55)45-41-37-33-30-26-23-24-27-31-35-39-43-49(3)4/h7,9,13,15,18-19,21-22,49-50H,5-6,8,10-12,14,16-17,20,23-48H2,1-4H3/b9-7-,15-13-,19-18-,22-21-/t50-/m0/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C53H94O6/c1-5-7-9-11-13-15-17-18-19-20-21-22-25-29-32-36-40-44-51(54)57-47-50(59-53(56)46-42-38-34-28-16-14-12-10-8-6-2)48-58-52(55)45-41-37-33-30-26-23-24-27-31-35-39-43-49(3)4/h7,9,13,15,18-19,21-22,49-50H,5-6,8,10-12,14,16-17,20,23-48H2,1-4H3/b9-7-,15-13-,19-18-,22-21-/t50-/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH2:5]/[CH:7]=[CH:9]\[CH2:11]/[CH:13]=[CH:15]\[CH2:17]/[CH:18]=[CH:19]\[CH2:20]/[CH:21]=[CH:22]\[CH2:25][CH2:29][CH2:32][CH2:36][CH2:40][CH2:44][C:51](=[O:54])[O:57][CH2:47][C@@H:50]([CH2:48][O:58][C:52]([CH2:45][CH2:41][CH2:37][CH2:33][CH2:30][CH2:26][CH2:23][CH2:24][CH2:27][CH2:31][CH2:35][CH2:39][CH2:43][CH:49]([CH3:3])[CH3:4])=[O:55])[O:59][C:53]([CH2:46][CH2:42][CH2:38][CH2:34][CH2:28][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH3:2])=[O:56] |
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