| SpectraBase Compound ID | AIv8HPZ3hY6 |
|---|---|
| InChI | InChI=1S/C44H56O20/c1-13-28(48)58-33-42(61-24(5)47)32(59-34(51)37(8)21(2)60-37)35(6)20-40(42,52)38(9,26(35)16-29(49)53-11)43-27(56-22(3)45)17-36(7,31(57-23(4)46)25-14-15-55-19-25)41(18-30(50)54-12)44(33,43)64-39(10,62-41)63-43/h14-15,19,21,26-27,31-33,52H,13,16-18,20H2,1-12H3/t21-,26+,27-,31+,32+,33-,35+,36+,37+,38-,39?,40-,41+,42+,43+,44+/m1/s1 |
| InChIKey | GGDXKDBYBCWLOW-PWBBIABYSA-N |
| Mol Weight | 904.9 g/mol |
| Molecular Formula | C44H56O20 |
| Exact Mass | 904.336494 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | GR9az6xTHDL |
|---|---|
| Name | Swietenitin L |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C44H56O20 |
| InChI | InChI=1S/C44H56O20/c1-13-28(48)58-33-42(61-24(5)47)32(59-34(51)37(8)21(2)60-37)35(6)20-40(42,52)38(9,26(35)16-29(49)53-11)43-27(56-22(3)45)17-36(7,31(57-23(4)46)25-14-15-55-19-25)41(18-30(50)54-12)44(33,43)64-39(10,62-41)63-43/h14-15,19,21,26-27,31-33,52H,13,16-18,20H2,1-12H3/t21-,26+,27-,31+,32+,33-,35+,36+,37+,38-,39?,40-,41+,42+,43+,44+/m1/s1 |
| InChIKey | GGDXKDBYBCWLOW-PWBBIABYSA-N |
| Molecular Weight | 904.912 g/mol |
| SMILES | O[C@@]12[C@]3([C@]([C@]45[C@]6([C@@]1([C@@](CC(=O)OC)([C@]([C@@]3(OC([C@]1(O[C@@]1(C)[H])C)=O)[H])(C)C2)[H])C)OC(O4)(C)O[C@]5([C@@]([C@](c1cocc1)(OC(=O)C)[H])(C)C[C@]6(OC(=O)C)[H])CC(=O)OC)(OC(=O)CC)[H])OC(=O)C |
| SPLASH | splash10-001j-4900000021-e908e9eba3ffce77006f |
| Source of Spectrum | G4-72-1312-16 |
| Wiley ID | 1702140 |