| Properties | Image |
|---|
| MNX_ID | MNXM193085 |
 |
| reference | slm:000139962 |
| formula | C52H94O6 |
| global charge | 0 |
| mol weight | 815.318 |
| InChIKey | BPYGOSFATGNUDA-FVCRCAGTSA-N |
| InChI | InChI=1S/C52H94O6/c1-4-7-10-13-16-19-22-24-26-28-30-33-35-38-41-44-50(53)56-47-49(58-52(55)46-43-40-37-32-21-18-15-12-9-6-3)48-57-51(54)45-42-39-36-34-31-29-27-25-23-20-17-14-11-8-5-2/h16,19-20,23-24,26,49H,4-15,17-18,21-22,25,27-48H2,1-3H3/b19-16-,23-20+,26-24-/t49-/m0/s1 |
| SMILES | CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCCCC/C=C/CCCCCC)OC(=O)CCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C52H94O6/c1-4-7-10-13-16-19-22-24-26-28-30-33-35-38-41-44-50(53)56-47-49(58-52(55)46-43-40-37-32-21-18-15-12-9-6-3)48-57-51(54)45-42-39-36-34-31-29-27-25-23-20-17-14-11-8-5-2/h16,19-20,23-24,26,49H,4-15,17-18,21-22,25,27-48H2,1-3H3/b19-16-,23-20+,26-24-/t49-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH2:13]/[CH:16]=[CH:19]\[CH2:22]/[CH:24]=[CH:26]\[CH2:28][CH2:30][CH2:33][CH2:35][CH2:38][CH2:41][CH2:44][C:50](=[O:53])[O:56][CH2:47][C@@H:49]([CH2:48][O:57][C:51]([CH2:45][CH2:42][CH2:39][CH2:36][CH2:34][CH2:31][CH2:29][CH2:27][CH2:25]/[CH:23]=[CH:20]/[CH2:17][CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:54])[O:58][C:52]([CH2:46][CH2:43][CH2:40][CH2:37][CH2:32][CH2:21][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:55] |
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