| Properties | Image |
|---|
| MNX_ID | MNXM336475 |
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| reference | slm:000137904 |
| formula | C52H86O6 |
| global charge | 0 |
| mol weight | 807.254 |
| InChIKey | DGTDVVXGFBCTPG-ZBZSHYOCSA-N |
| InChI | InChI=1S/C52H86O6/c1-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-32-37-41-45-52(55)58-49(47-57-51(54)44-40-36-33-29-30-34-38-42-48(3)4)46-56-50(53)43-39-35-31-27-25-16-14-12-10-8-6-2/h7,9,12-15,18-19,21-22,24,26,32,37,48-49H,5-6,8,10-11,16-17,20,23,25,27-31,33-36,38-47H2,1-4H3/b9-7-,14-12-,15-13-,19-18-,22-21-,26-24-,37-32-/t49-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\CCCC)COC(=O)CCCCCCCCCC(C)C |
MNX internals
| InChI (mnx) | InChI=1/C52H86O6/c1-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-32-37-41-45-52(55)58-49(47-57-51(54)44-40-36-33-29-30-34-38-42-48(3)4)46-56-50(53)43-39-35-31-27-25-16-14-12-10-8-6-2/h7,9,12-15,18-19,21-22,24,26,32,37,48-49H,5-6,8,10-11,16-17,20,23,25,27-31,33-36,38-47H2,1-4H3/b9-7-,14-12-,15-13-,19-18-,22-21-,26-24-,37-32-/t49-/m1/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]\[CH2:28]/[CH:32]=[CH:37]\[CH2:41][CH2:45][C:52](=[O:55])[O:58][C@H:49]([CH2:46][O:56][C:50]([CH2:43][CH2:39][CH2:35][CH2:31][CH2:27][CH2:25][CH2:16]/[CH:14]=[CH:12]\[CH2:10][CH2:8][CH2:6][CH3:2])=[O:53])[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] |
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