| SpectraBase Compound ID | CnQ6qltrazf |
|---|---|
| InChI | InChI=1S/C29H37NO3/c1-19-9-8-12-25-28(19,3)15-13-20(2)29(25,4)18-22-26(32)23(17-24(31)27(22)33)30-16-14-21-10-6-5-7-11-21/h5-7,9-11,17,20,25,30,33H,8,12-16,18H2,1-4H3/t20-,25+,28-,29+/m0/s1 |
| InChIKey | ZRZRJHAYWIOCML-DAORKYKSSA-N |
| Mol Weight | 447.6 g/mol |
| Molecular Formula | C29H37NO3 |
| Exact Mass | 447.277344 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | LZKgkquP3MJ |
|---|---|
| Name | 5-epi-Nakijiquinone Q |
| Appearance | Red, amorphous solid |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C29H37NO3 |
| InChI | InChI=1S/C29H37NO3/c1-19-9-8-12-25-28(19,3)15-13-20(2)29(25,4)18-22-26(32)23(17-24(31)27(22)33)30-16-14-21-10-6-5-7-11-21/h5-7,9-11,17,20,25,30,33H,8,12-16,18H2,1-4H3/t20-,25+,28-,29+/m0/s1 |
| InChIKey | ZRZRJHAYWIOCML-DAORKYKSSA-N |
| Instrument Name | Thermo Finnigan TCQ 7000 |
| Ionization Type | EI |
| Literature Reference DOI | 10.1021/np400633m |
| Molecular Weight | 447.619 g/mol |
| Optical Rotation | [a]D23 = -18 (c = 0.05, MeOH) |
| Reported Formula | C29H37NO3 |
| 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)CCc1ccccc1 |
| SPLASH | splash10-0a4i-1390000000-2aa17a428370c8e9fb55 |
| Source of Spectrum | G4-77-224-2 |
| Wiley ID | 1865775 |