| SpectraBase Compound ID | 1IBMwGKT3YR |
|---|---|
| InChI | InChI=1S/C31H46O6/c1-8-9-14-37-25(36)11-10-18(2)19-15-24(35)31(7)27-20(32)16-22-28(3,4)23(34)12-13-29(22,5)26(27)21(33)17-30(19,31)6/h18-20,22,32H,8-17H2,1-7H3/t18-,19-,20+,22+,29+,30-,31+/m1/s1 |
| InChIKey | VTRNTNWDQWDREE-UGUHEFQYSA-N |
| Mol Weight | 514.7 g/mol |
| Molecular Formula | C31H46O6 |
| Exact Mass | 514.329439 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | A2xHWKRoKup |
|---|---|
| Name | Butyl lucidenate A |
| Appearance | White amorphous powder |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C31H46O6 |
| InChI | InChI=1S/C31H46O6/c1-8-9-14-37-25(36)11-10-18(2)19-15-24(35)31(7)27-20(32)16-22-28(3,4)23(34)12-13-29(22,5)26(27)21(33)17-30(19,31)6/h18-20,22,32H,8-17H2,1-7H3/t18-,19-,20+,22+,29+,30-,31+/m1/s1 |
| InChIKey | VTRNTNWDQWDREE-UGUHEFQYSA-N |
| Instrument Name | Hewlett-Packard 5989B |
| Ionization Type | EI |
| Literature Reference DOI | 10.1021/np900578h |
| Molecular Weight | 514.703 g/mol |
| Optical Rotation | [a]D25 = +25.0 (c = 0.1, CHCl3) |
| Reported Formula | C31H46O6 |
| SMILES | O[C@@]1(C2=C([C@]3(CCC(C([C@@]3(C1)[H])(C)C)=O)C)C(C[C@]1([C@]2(C(C[C@@]1([C@@](CCC(OCCCC)=O)(C)[H])[H])=O)C)C)=O)[H] |
| SPLASH | splash10-004i-1109210000-5df94564f6ea768806f4 |
| Source of Spectrum | G4-73-176-4 |
| Wiley ID | 1846412 |