| Properties | Image |
|---|
| MNX_ID | MNXM185539 |
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| reference | slm:000149669 |
| formula | C54H96O6 |
| global charge | 0 |
| mol weight | 841.356 |
| InChIKey | XOAXFACHGMHQIN-HBMLWWKOSA-N |
| InChI | InChI=1S/C54H96O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-31-33-36-38-41-44-47-53(56)59-50-51(60-54(57)48-45-42-39-34-21-18-15-12-9-6-3)49-58-52(55)46-43-40-37-35-32-30-23-20-17-14-11-8-5-2/h16,19,24-25,27-28,32,35,51H,4-15,17-18,20-23,26,29-31,33-34,36-50H2,1-3H3/b19-16-,25-24-,28-27-,35-32-/t51-/m0/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\CCCCCCCCC(=O)OC[C@H](COC(=O)CCCC/C=C\CCCCCCCCC)OC(=O)CCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H96O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-31-33-36-38-41-44-47-53(56)59-50-51(60-54(57)48-45-42-39-34-21-18-15-12-9-6-3)49-58-52(55)46-43-40-37-35-32-30-23-20-17-14-11-8-5-2/h16,19,24-25,27-28,32,35,51H,4-15,17-18,20-23,26,29-31,33-34,36-50H2,1-3H3/b19-16-,25-24-,28-27-,35-32-/t51-/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH2:13]/[CH:16]=[CH:19]\[CH2:22]/[CH:24]=[CH:25]\[CH2:26]/[CH:27]=[CH:28]\[CH2:29][CH2:31][CH2:33][CH2:36][CH2:38][CH2:41][CH2:44][CH2:47][C:53](=[O:56])[O:59][CH2:50][C@H:51]([CH2:49][O:58][C:52]([CH2:46][CH2:43][CH2:40][CH2:37]/[CH:35]=[CH:32]\[CH2:30][CH2:23][CH2:20][CH2:17][CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:55])[O:60][C:54]([CH2:48][CH2:45][CH2:42][CH2:39][CH2:34][CH2:21][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:57] |
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