| SpectraBase Compound ID | B5Un67di6rR |
|---|---|
| InChI | InChI=1S/C29H37NO4/c1-18-6-5-7-25-28(18,3)14-12-19(2)29(25,4)17-22-26(33)23(16-24(32)27(22)34)30-15-13-20-8-10-21(31)11-9-20/h6,8-11,16,19,25,30-31,34H,5,7,12-15,17H2,1-4H3/t19-,25+,28-,29+/m0/s1 |
| InChIKey | UVYIMIFWRIPFRV-BJYPFNDOSA-N |
| Mol Weight | 463.6 g/mol |
| Molecular Formula | C29H37NO4 |
| Exact Mass | 463.272259 g/mol |
Mass Spectrum (GC)
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 6cOTswCsvcl |
|---|---|
| Name | 5-epi-Nakijiquinone S |
| Appearance | Red, amorphous solid |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C29H37NO4 |
| InChI | InChI=1S/C29H37NO4/c1-18-6-5-7-25-28(18,3)14-12-19(2)29(25,4)17-22-26(33)23(16-24(32)27(22)34)30-15-13-20-8-10-21(31)11-9-20/h6,8-11,16,19,25,30-31,34H,5,7,12-15,17H2,1-4H3/t19-,25+,28-,29+/m0/s1 |
| InChIKey | UVYIMIFWRIPFRV-BJYPFNDOSA-N |
| Instrument Name | Thermo Finnigan TCQ 7000 |
| Ionization Type | EI |
| Literature Reference DOI | 10.1021/np400633m |
| Molecular Weight | 463.618 g/mol |
| Optical Rotation | [a]D23 = -23 (c = 0.05, MeOH) |
| Reported Formula | C29H37NO4 |
| 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)CCc1ccc(cc1)O |
| SPLASH | splash10-00fs-3980000000-9dab98a45e160d8235c1 |
| Source of Spectrum | G4-77-224-1 |
| Wiley ID | 1865774 |