| SpectraBase Compound ID | GXQTDZegjiM |
|---|---|
| InChI | InChI=1S/C29H37NO3/c1-19-12-13-22-23(11-8-15-28(22,2)3)29(19,4)18-21-26(32)24(17-25(31)27(21)33)30-16-14-20-9-6-5-7-10-20/h5-7,9-10,13,17,19,23,30,33H,8,11-12,14-16,18H2,1-4H3/t19-,23+,29+/m0/s1 |
| InChIKey | XPBBMGKNBSHXLB-VNHZXFAYSA-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 | 3wEnk2eO6Xf |
|---|---|
| Name | Nakijiquinone P |
| Appearance | Purple-red amorphous solid |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C29H37NO3 |
| InChI | InChI=1S/C29H37NO3/c1-19-12-13-22-23(11-8-15-28(22,2)3)29(19,4)18-21-26(32)24(17-25(31)27(21)33)30-16-14-20-9-6-5-7-10-20/h5-7,9-10,13,17,19,23,30,33H,8,11-12,14-16,18H2,1-4H3/t19-,23+,29+/m0/s1 |
| InChIKey | XPBBMGKNBSHXLB-VNHZXFAYSA-N |
| Instrument Name | JEOL FABmate |
| Ionization Type | EI |
| Literature Reference DOI | 10.1021/np900470e |
| Molecular Weight | 447.619 g/mol |
| Optical Rotation | [a]D23 = -14 (c = 0.1, CHCl3) |
| Reported Formula | C29H37NO3 |
| SMILES | OC1=C(C(C(=CC1=O)NCCc1ccccc1)=O)C[C@]1([C@@]2(CCCC(C2=CC[C@@]1(C)[H])(C)C)[H])C |
| SPLASH | splash10-0a4i-1390000000-11b3409cb867c4811339 |
| Source of Spectrum | G4-73-470-7 |
| Wiley ID | 1848926 |