| Properties | Image |
|---|
| MNX_ID | MNXM177348 |
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| reference | slm:000142758 |
| formula | C53H90O6 |
| global charge | 0 |
| mol weight | 823.297 |
| InChIKey | VBUFMGVZOOKWJW-NBASAKQSSA-N |
| InChI | InChI=1S/C53H90O6/c1-4-7-10-13-16-19-22-23-24-25-26-27-28-29-30-31-32-35-37-40-43-46-52(55)58-49-50(59-53(56)47-44-41-38-34-21-18-15-12-9-6-3)48-57-51(54)45-42-39-36-33-20-17-14-11-8-5-2/h7,10,16,19,23-24,26-27,29-30,32,35,50H,4-6,8-9,11-15,17-18,20-22,25,28,31,33-34,36-49H2,1-3H3/b10-7-,19-16-,24-23-,27-26-,30-29-,35-32-/t50-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)OC[C@@H](COC(=O)CCCCCCCCCCCC)OC(=O)CCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C53H90O6/c1-4-7-10-13-16-19-22-23-24-25-26-27-28-29-30-31-32-35-37-40-43-46-52(55)58-49-50(59-53(56)47-44-41-38-34-21-18-15-12-9-6-3)48-57-51(54)45-42-39-36-33-20-17-14-11-8-5-2/h7,10,16,19,23-24,26-27,29-30,32,35,50H,4-6,8-9,11-15,17-18,20-22,25,28,31,33-34,36-49H2,1-3H3/b10-7-,19-16-,24-23-,27-26-,30-29-,35-32-/t50-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:4]/[CH:7]=[CH:10]\[CH2:13]/[CH:16]=[CH:19]\[CH2:22]/[CH:23]=[CH:24]\[CH2:25]/[CH:26]=[CH:27]\[CH2:28]/[CH:29]=[CH:30]\[CH2:31]/[CH:32]=[CH:35]\[CH2:37][CH2:40][CH2:43][CH2:46][C:52](=[O:55])[O:58][CH2:49][C@@H:50]([CH2:48][O:57][C:51]([CH2:45][CH2:42][CH2:39][CH2:36][CH2:33][CH2:20][CH2:17][CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:54])[O:59][C:53]([CH2:47][CH2:44][CH2:41][CH2:38][CH2:34][CH2:21][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:56] |
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