| Properties | Image |
|---|
| MNX_ID | MNXM189172 |
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| reference | slm:000138461 |
| formula | C52H88O6 |
| global charge | 0 |
| mol weight | 809.27 |
| InChIKey | CVAJASXYGAPKFC-USMSFZEOSA-N |
| InChI | InChI=1S/C52H88O6/c1-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-27-31-35-39-43-50(53)56-46-49(47-57-51(54)44-40-36-33-29-30-34-38-42-48(3)4)58-52(55)45-41-37-32-28-25-16-14-12-10-8-6-2/h7,9,13,15,18-19,21-22,24,26,31,35,48-49H,5-6,8,10-12,14,16-17,20,23,25,27-30,32-34,36-47H2,1-4H3/b9-7-,15-13-,19-18-,22-21-,26-24-,35-31-/t49-/m0/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)OC[C@@H](COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C52H88O6/c1-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-27-31-35-39-43-50(53)56-46-49(47-57-51(54)44-40-36-33-29-30-34-38-42-48(3)4)58-52(55)45-41-37-32-28-25-16-14-12-10-8-6-2/h7,9,13,15,18-19,21-22,24,26,31,35,48-49H,5-6,8,10-12,14,16-17,20,23,25,27-30,32-34,36-47H2,1-4H3/b9-7-,15-13-,19-18-,22-21-,26-24-,35-31-/t49-/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH2:5]/[CH:7]=[CH:9]\[CH2:11]/[CH:13]=[CH:15]\[CH2:17]/[CH:18]=[CH:19]\[CH2:20]/[CH:21]=[CH:22]\[CH2:23]/[CH:24]=[CH:26]\[CH2:27]/[CH:31]=[CH:35]\[CH2:39][CH2:43][C:50](=[O:53])[O:56][CH2:46][C@@H:49]([CH2:47][O:57][C:51]([CH2:44][CH2:40][CH2:36][CH2:33][CH2:29][CH2:30][CH2:34][CH2:38][CH2:42][CH:48]([CH3:3])[CH3:4])=[O:54])[O:58][C:52]([CH2:45][CH2:41][CH2:37][CH2:32][CH2:28][CH2:25][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH3:2])=[O:55] |
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