| Properties | Image |
|---|
| MNX_ID | MNXM338484 |
 |
| reference | slm:000126106 |
| formula | C45H84O6 |
| global charge | 0 |
| mol weight | 721.161 |
| InChIKey | ABZLYSUMLRCIFN-PLPVMZPOSA-N |
| InChI | InChI=1S/C45H84O6/c1-5-7-9-11-13-15-17-21-24-28-32-36-43(46)49-39-42(51-45(48)38-34-30-26-20-16-14-12-10-8-6-2)40-50-44(47)37-33-29-25-22-18-19-23-27-31-35-41(3)4/h11,13,41-42H,5-10,12,14-40H2,1-4H3/b13-11-/t42-/m1/s1 |
| SMILES | CCCC/C=C\CCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C45H84O6/c1-5-7-9-11-13-15-17-21-24-28-32-36-43(46)49-39-42(51-45(48)38-34-30-26-20-16-14-12-10-8-6-2)40-50-44(47)37-33-29-25-22-18-19-23-27-31-35-41(3)4/h11,13,41-42H,5-10,12,14-40H2,1-4H3/b13-11-/t42-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:5][CH2:7][CH2:9]/[CH:11]=[CH:13]\[CH2:15][CH2:17][CH2:21][CH2:24][CH2:28][CH2:32][CH2:36][C:43](=[O:46])[O:49][CH2:39][C@H:42]([CH2:40][O:50][C:44]([CH2:37][CH2:33][CH2:29][CH2:25][CH2:22][CH2:18][CH2:19][CH2:23][CH2:27][CH2:31][CH2:35][CH:41]([CH3:3])[CH3:4])=[O:47])[O:51][C:45]([CH2:38][CH2:34][CH2:30][CH2:26][CH2:20][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH3:2])=[O:48] |
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