Spektraris NMR
Laurenquinone A
Common Name: Laurenquinone A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H20O7/c1-9(2)5-6-11-14(23)8-13-16(19(11)25)21(27)17-12(18(13)24)7-10(3)15(20(17)26)22(28)29-4/h5,7-8,23,25-26H,6H2,1-4H3
InChIKey: InChIKey=VHXGADCMKFUNJN-UHFFFAOYSA-N
Formula: C22H20O7
Molecular Weight: 396.390839
Exact Mass: 396.120903
NMR Solvent: C+M
MHz:
Calibration:
NMR references: 13C - Wabo, H.K., Kouam, S.F., Krohn, K., Hussain, H., Tala, M.F., Tane, P., Ree, T., Hu, Q., Schulz, B. Chem Pharm Bull (2007) 55, 1640-2
Species:
Notes: Family : Aromatics, Type : Anthraquinones, Group : Anthraquinones; 13 C Spectrum from Naproc 13: José Luis López-Pérez, Roberto Therón, Esther del Olmo, David Díaz: NAPROC-13: a database for the dereplication of natural product mixtures in bioassay-guided protocols. Bioinformatics 23(23):3256-3257 (2007)
Carbon NMR Peaks
| Position | PPM |
|---|---|
| 1 (C) | 162.8 |
| 2 (C) | 114.2 |
| 3 (C) | 162.9 |
| 4 (CH) | 108.9 |
| 4a (C) | 133.4 |
| 5 (CH) | 120.9 |
| 6 (C) | 144.8 |
| 7 (C) | 128.8 |
| 8 (C) | 159 |
| 8a (C) | 113.1 |
| 9 (C) | 190.2 |
| 9a (C) | 109.2 |
| 10 (C) | 182.3 |
| 10a (C) | 133.1 |
| 2a (CH2) | 22.1 |
| 2b (CH) | 120.4 |
| 2c (C) | 132 |
| 2d (CH3) | 25.6 |
| 2e (CH3) | 17.7 |
| 6a (CH3) | 20.1 |
| 7a (C) | 166.8 |
| 7c (CH3) | 52.6 |
