| SpectraBase Compound ID | 7qAEyQifrQv |
|---|---|
| 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-JEDUBMGFSA-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 | Ht087z8rXIF |
|---|---|
| Name | Nakijiquinone Q |
| Appearance | Purple-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-JEDUBMGFSA-N |
| Instrument Name | JEOL FABmate |
| Ionization Type | EI |
| Literature Reference DOI | 10.1021/np900470e |
| Molecular Weight | 447.619 g/mol |
| Optical Rotation | [a]D25 = +180 (c = 0.1, CHCl3) |
| Reported Formula | C29H37NO3 |
| SMILES | OC1=C(C(C(=CC1=O)NCCc1ccccc1)=O)C[C@]1([C@@]2(CCC=C([C@]2(CC[C@@]1(C)[H])C)C)[H])C |
| SPLASH | splash10-0aor-0950100000-67735345cc7f40d5a0c7 |
| Source of Spectrum | G4-73-470-8 |
| Wiley ID | 1848927 |