| SpectraBase Compound ID | 1H1JTJ0orZO |
|---|---|
| InChI | InChI=1S/C40H50O15/c1-10-21(4)30(45)52-31-34(7)18-38-36(19-49-27(43)15-24(34)36)37-13-12-33(6,28(50-22(5)41)23-11-14-48-17-23)25(16-26(42)47-9)40(37,55-35(8,53-37)54-38)32(39(31,38)46)51-29(44)20(2)3/h10-11,14,17,20,24-25,28,31-32,46H,12-13,15-16,18-19H2,1-9H3/b21-10+/t24-,25+,28-,31-,32+,33+,34-,35-,36-,37-,38+,39+,40+/m0/s1 |
| InChIKey | GBLFUWWNOKXZHD-TYFZBMJNSA-N |
| Mol Weight | 770.8 g/mol |
| Molecular Formula | C40H50O15 |
| Exact Mass | 770.314971 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 1CoIH3tYQoT |
|---|---|
| Name | Swietenitin F |
| Appearance | White powder |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C40H50O15 |
| InChI | InChI=1S/C40H50O15/c1-10-21(4)30(45)52-31-34(7)18-38-36(19-49-27(43)15-24(34)36)37-13-12-33(6,28(50-22(5)41)23-11-14-48-17-23)25(16-26(42)47-9)40(37,55-35(8,53-37)54-38)32(39(31,38)46)51-29(44)20(2)3/h10-11,14,17,20,24-25,28,31-32,46H,12-13,15-16,18-19H2,1-9H3/b21-10+/t24-,25+,28-,31-,32+,33+,34-,35-,36-,37-,38+,39+,40+/m0/s1 |
| InChIKey | GBLFUWWNOKXZHD-TYFZBMJNSA-N |
| Instrument Name | Finnigan MAT 95 |
| Ionization Type | EI Positive ion |
| Literature Reference DOI | 10.1021/np900139c |
| Molecular Weight | 770.825 g/mol |
| Optical Rotation | [a]D20 = -30 (c = 0.25, CH3OH) |
| Reported Formula | C40H50O15 |
| SMILES | O[C@]12[C@]([C@]34[C@@]5([C@@]67[C@]([C@@]([C@@]2(OC(\C(C)=C\C)=O)[H])(C[C@]17O[C@](O5)(O3)C)C)(CC(OC6)=O)[H])CC[C@]([C@]4(CC(OC)=O)[H])([C@@](OC(C)=O)(c1ccoc1)[H])C)(OC(=O)C(C)C)[H] |
| SPLASH | splash10-001i-9003100000-d18c532aa50b1c7fddfe |
| Source of Spectrum | G4-72-SM40-6 |
| Wiley ID | 1876840 |