| SpectraBase Compound ID | E35sq6BK8W8 |
|---|---|
| InChI | InChI=1S/C25H37NO3/c1-15(2)14-26-19-12-20(27)23(29)18(22(19)28)13-25(6)17(4)10-11-24(5)16(3)8-7-9-21(24)25/h8,12,15,17,21,26,29H,7,9-11,13-14H2,1-6H3/t17-,21+,24+,25+/m0/s1 |
| InChIKey | FNCUIBSVSDQFCR-CMEURUHUSA-N |
| Mol Weight | 399.6 g/mol |
| Molecular Formula | C25H37NO3 |
| Exact Mass | 399.277344 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | CByENFwVBnV |
|---|---|
| Name | Nakijiquinone O |
| Appearance | Purple-red amorphous solid |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C25H37NO3 |
| InChI | InChI=1S/C25H37NO3/c1-15(2)14-26-19-12-20(27)23(29)18(22(19)28)13-25(6)17(4)10-11-24(5)16(3)8-7-9-21(24)25/h8,12,15,17,21,26,29H,7,9-11,13-14H2,1-6H3/t17-,21+,24+,25+/m0/s1 |
| InChIKey | FNCUIBSVSDQFCR-CMEURUHUSA-N |
| Instrument Name | JEOL FABmate |
| Ionization Type | EI |
| Literature Reference DOI | 10.1021/np900470e |
| Molecular Weight | 399.575 g/mol |
| Optical Rotation | [a]D23 = +160 (c = 0.1, CHCl3) |
| Reported Formula | C25H37NO3 |
| SMILES | OC1=C(C(C(=CC1=O)NCC(C)C)=O)C[C@]1([C@@]2(CCC=C([C@]2(CC[C@@]1(C)[H])C)C)[H])C |
| SPLASH | splash10-0a4i-1290000000-52142a26d3a049ab2720 |
| Source of Spectrum | G4-73-470-6 |
| Wiley ID | 1848925 |