| SpectraBase Compound ID | 6a0tZHeXpQF |
|---|---|
| InChI | InChI=1S/C42H54O19/c1-12-26(46)55-31-40(58-22(4)44)30(56-32(49)35(7)20(2)57-35)33(5)19-38(40,50)36(8,24(33)15-27(47)51-10)41-25(45)16-34(6,29(54-21(3)43)23-13-14-53-18-23)39(17-28(48)52-11)42(31,41)61-37(9,59-39)60-41/h13-14,18,20,24-25,29-31,45,50H,12,15-17,19H2,1-11H3/t20-,24+,25-,29+,30+,31-,33+,34+,35+,36-,37?,38-,39+,40+,41+,42+/m1/s1 |
| InChIKey | DAEKRFAIUXMGIW-NLPFIHQNSA-N |
| Mol Weight | 862.9 g/mol |
| Molecular Formula | C42H54O19 |
| Exact Mass | 862.325929 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 77qxsdVTIXi |
|---|---|
| Name | Swietenitin K |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C42H54O19 |
| InChI | InChI=1S/C42H54O19/c1-12-26(46)55-31-40(58-22(4)44)30(56-32(49)35(7)20(2)57-35)33(5)19-38(40,50)36(8,24(33)15-27(47)51-10)41-25(45)16-34(6,29(54-21(3)43)23-13-14-53-18-23)39(17-28(48)52-11)42(31,41)61-37(9,59-39)60-41/h13-14,18,20,24-25,29-31,45,50H,12,15-17,19H2,1-11H3/t20-,24+,25-,29+,30+,31-,33+,34+,35+,36-,37?,38-,39+,40+,41+,42+/m1/s1 |
| InChIKey | DAEKRFAIUXMGIW-NLPFIHQNSA-N |
| Molecular Weight | 862.875 g/mol |
| SMILES | O[C@@]12[C@]3([C@]([C@]45[C@]6([C@@](C[C@]([C@@]5(OC(O4)(C)O6)CC(=O)OC)([C@](c4cocc4)(OC(=O)C)[H])C)(O)[H])[C@@]1([C@]([C@](C2)([C@@]3(OC([C@]1(O[C@@]1(C)[H])C)=O)[H])C)(CC(=O)OC)[H])C)(OC(=O)CC)[H])OC(=O)C |
| SPLASH | splash10-008c-6600111090-99efb91111e9ab22324a |
| Source of Spectrum | G4-72-1312-15 |
| Wiley ID | 1702141 |