| Properties | Image |
|---|
| MNX_ID | MNXM186274 |
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| reference | slm:000149505 |
| formula | C54H96O6 |
| global charge | 0 |
| mol weight | 841.356 |
| InChIKey | NYDCCBYLTBYOGX-SKAZJSMASA-N |
| InChI | InChI=1S/C54H96O6/c1-5-7-9-11-13-15-17-19-20-21-22-23-24-26-28-30-34-39-43-47-54(57)60-51(49-59-53(56)46-42-38-35-31-32-36-40-44-50(3)4)48-58-52(55)45-41-37-33-29-27-25-18-16-14-12-10-8-6-2/h10,12-13,15-16,18-20,50-51H,5-9,11,14,17,21-49H2,1-4H3/b12-10-,15-13-,18-16-,20-19-/t51-/m0/s1 |
| SMILES | CCC/C=C\C/C=C\CCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H96O6/c1-5-7-9-11-13-15-17-19-20-21-22-23-24-26-28-30-34-39-43-47-54(57)60-51(49-59-53(56)46-42-38-35-31-32-36-40-44-50(3)4)48-58-52(55)45-41-37-33-29-27-25-18-16-14-12-10-8-6-2/h10,12-13,15-16,18-20,50-51H,5-9,11,14,17,21-49H2,1-4H3/b12-10-,15-13-,18-16-,20-19-/t51-/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH2:5][CH2:7][CH2:9][CH2:11]/[CH:13]=[CH:15]\[CH2:17]/[CH:19]=[CH:20]\[CH2:21][CH2:22][CH2:23][CH2:24][CH2:26][CH2:28][CH2:30][CH2:34][CH2:39][CH2:43][CH2:47][C:54](=[O:57])[O:60][C@@H:51]([CH2:48][O:58][C:52]([CH2:45][CH2:41][CH2:37][CH2:33][CH2:29][CH2:27][CH2:25]/[CH:18]=[CH:16]\[CH2:14]/[CH:12]=[CH:10]\[CH2:8][CH2:6][CH3:2])=[O:55])[CH2:49][O:59][C:53]([CH2:46][CH2:42][CH2:38][CH2:35][CH2:31][CH2:32][CH2:36][CH2:40][CH2:44][CH:50]([CH3:3])[CH3:4])=[O:56] |
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