| SpectraBase Compound ID | HW7H8F5XJLO |
|---|---|
| InChI | InChI=1S/C31H38N2O3/c1-19-8-7-11-27-30(19,3)14-12-20(2)31(27,4)17-23-28(35)25(16-26(34)29(23)36)32-15-13-21-18-33-24-10-6-5-9-22(21)24/h5-6,8-10,16,18,20,27,32-33,36H,7,11-15,17H2,1-4H3/t20-,27+,30-,31+/m0/s1 |
| InChIKey | KMDGCQCDKFMKAD-WORHRAFRSA-N |
| Mol Weight | 486.7 g/mol |
| Molecular Formula | C31H38N2O3 |
| Exact Mass | 486.288243 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | JY7rsSU1bJ2 |
|---|---|
| Name | 5-epi-Nakijiquinone T |
| Appearance | Red, amorphous solid |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C31H38N2O3 |
| InChI | InChI=1S/C31H38N2O3/c1-19-8-7-11-27-30(19,3)14-12-20(2)31(27,4)17-23-28(35)25(16-26(34)29(23)36)32-15-13-21-18-33-24-10-6-5-9-22(21)24/h5-6,8-10,16,18,20,27,32-33,36H,7,11-15,17H2,1-4H3/t20-,27+,30-,31+/m0/s1 |
| InChIKey | KMDGCQCDKFMKAD-WORHRAFRSA-N |
| Instrument Name | Thermo Finnigan TCQ 7000 |
| Ionization Type | EI |
| Literature Reference DOI | 10.1021/np400633m |
| Molecular Weight | 486.656 g/mol |
| Optical Rotation | [a]D23 = -17 (c = 0.05, MeOH) |
| Reported Formula | C31H38N2O3 |
| SMILES | N(C1=CC(C(=C(C1=O)C[C@]1([C@@]2(CCC=C([C@@]2(CC[C@@]1(C)[H])C)C)[H])C)O)=O)CCc1c2c(cccc2)[nH]c1 |
| SPLASH | splash10-0002-1970000000-bf611f42e6952c3464f1 |
| Source of Spectrum | G4-77-225-3 |
| Wiley ID | 1865776 |