| SpectraBase Compound ID | 8J1eWd0ZG7J |
|---|---|
| InChI | InChI=1S/C39H48O16/c1-9-24(41)50-29-38(45)28(51-30(44)33(6)19(2)52-33)32(5)17-37(38)35(18-48-26(43)14-22(32)35)36-12-11-31(4,27(49-20(3)40)21-10-13-47-16-21)23(15-25(42)46-8)39(29,36)55-34(7,53-36)54-37/h10,13,16,19,22-23,27-29,45H,9,11-12,14-15,17-18H2,1-8H3/t19-,22+,23-,27+,28+,29-,31-,32+,33+,34+,35+,36+,37-,38-,39-/m1/s1 |
| InChIKey | PSIAPSWMYWLEHN-OIKPYQANSA-N |
| Mol Weight | 772.8 g/mol |
| Molecular Formula | C39H48O16 |
| Exact Mass | 772.294235 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | KHArzwzOPQD |
|---|---|
| Name | Swietenitin D |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C39H48O16 |
| InChI | InChI=1S/C39H48O16/c1-9-24(41)50-29-38(45)28(51-30(44)33(6)19(2)52-33)32(5)17-37(38)35(18-48-26(43)14-22(32)35)36-12-11-31(4,27(49-20(3)40)21-10-13-47-16-21)23(15-25(42)46-8)39(29,36)55-34(7,53-36)54-37/h10,13,16,19,22-23,27-29,45H,9,11-12,14-15,17-18H2,1-8H3/t19-,22+,23-,27+,28+,29-,31-,32+,33+,34+,35+,36+,37-,38-,39-/m1/s1 |
| InChIKey | PSIAPSWMYWLEHN-OIKPYQANSA-N |
| Molecular Weight | 772.797 g/mol |
| SMILES | O[C@]12[C@@]34[C@]5([C@@]67[C@]([C@@](CC(=O)OC)([H])[C@@](CC7)([C@](c7cocc7)(OC(=O)C)[H])C)(O[C@@](O3)(C)O6)[C@@]2(OC(=O)CC)[H])[C@]([C@]([C@@]1(OC([C@]1(O[C@@]1(C)[H])C)=O)[H])(C)C4)(CC(OC5)=O)[H] |
| SPLASH | splash10-00mk-8109542300-9eb46b708f7b49e838c4 |
| Source of Spectrum | G4-72-1312-4 |
| Wiley ID | 1702151 |