| Properties | Image |
|---|
| MNX_ID | MNXM337927 |
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| reference | slm:000141631 |
| formula | C52H98O6 |
| global charge | 0 |
| mol weight | 819.35 |
| InChIKey | JQUIKYQINNEALC-XYCSPTTKSA-N |
| InChI | InChI=1S/C52H98O6/c1-4-7-10-13-16-19-22-23-24-25-26-27-28-31-34-37-40-43-46-52(55)58-49(47-56-50(53)44-41-38-35-32-29-20-17-14-11-8-5-2)48-57-51(54)45-42-39-36-33-30-21-18-15-12-9-6-3/h14,17,49H,4-13,15-16,18-48H2,1-3H3/b17-14-/t49-/m1/s1 |
| SMILES | CCCC/C=C\CCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C52H98O6/c1-4-7-10-13-16-19-22-23-24-25-26-27-28-31-34-37-40-43-46-52(55)58-49(47-56-50(53)44-41-38-35-32-29-20-17-14-11-8-5-2)48-57-51(54)45-42-39-36-33-30-21-18-15-12-9-6-3/h14,17,49H,4-13,15-16,18-48H2,1-3H3/b17-14-/t49-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH2:13][CH2:16][CH2:19][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:31][CH2:34][CH2:37][CH2:40][CH2:43][CH2:46][C:52](=[O:55])[O:58][C@H:49]([CH2:47][O:56][C:50]([CH2:44][CH2:41][CH2:38][CH2:35][CH2:32][CH2:29][CH2:20]/[CH:17]=[CH:14]\[CH2:11][CH2:8][CH2:5][CH3:2])=[O:53])[CH2:48][O:57][C:51]([CH2:45][CH2:42][CH2:39][CH2:36][CH2:33][CH2:30][CH2:21][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:54] |
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