Spektraris NMR
Parvixanthone I
Common Name: Parvixanthone I
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C24H26O7/c1-23(2)17(24(3)6-5-18(23)31-24)9-12-19-16(10-14(27)22(12)29-4)30-15-8-11(25)7-13(26)20(15)21(19)28/h7-8,10,17-18,25-27H,5-6,9H2,1-4H3/t17?,18-,24-/m1/s1
InChIKey: InChIKey=RCBJTBFVHREOHR-QPVHSEHFSA-N
Formula: C24H26O7
Molecular Weight: 426.459956
Exact Mass: 426.167853
NMR Solvent: CD3COCD3
MHz:
Calibration:
NMR references: 13C - Xu, Y.J., Lai, Y.H., Imiyabir, Z., Goh, S.H. J Nat Prod (2001) 64, 1191-5
Species:
Notes: Family : Aromatics, Type : Xanthones; 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) | 161 |
| 2 (CH) | 98.7 |
| 3 (C) | 157.8 |
| 4 (CH) | 93.8 |
| 4a (C) | 157.3 |
| 5 (CH) | 102.4 |
| 6 (C) | 155.4 |
| 7 (C) | 144.3 |
| 8 (C) | 139.8 |
| 8a (C) | 113.2 |
| 9 (C) | 176.3 |
| 9a (C) | 103.8 |
| 10a (C) | 154.3 |
| 1' (CH2) | 25.8 |
| 2' (CH) | 57.9 |
| 3' (C) | 46.5 |
| 4' (CH) | 86.4 |
| 5' (CH2) | 26.4 |
| 6' (CH2) | 39.8 |
| 7' (C) | 87.5 |
| 8' (CH3) | 24.6 |
| 9' (CH3) | 25.6 |
| 10' (CH3) | 18.8 |
| 7a (CH3) | 69.3 |
