Spektraris NMR
Parvixanthone A
Common Name: Parvixanthone A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C29H34O7/c1-16(2)9-11-19-21(31)13-24-26(27(19)33)28(34)25-20(29(35-5)22(32)14-23(25)36-24)12-10-17(3)7-6-8-18(4)15-30/h8-10,13-14,30-33H,6-7,11-12,15H2,1-5H3/b17-10+,18-8-
InChIKey: InChIKey=JOCULGMWCPVQGI-CRSJRTBWSA-N
Formula: C29H34O7
Molecular Weight: 494.577161
Exact Mass: 494.230453
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) | 162.9 |
| 2 (C) | 106.2 |
| 3 (C) | 163.6 |
| 4 (CH) | 99.1 |
| 4a (C) | 157.1 |
| 5 (CH) | 103.7 |
| 6 (C) | 158.4 |
| 7 (C) | 145.3 |
| 8 (C) | 138.7 |
| 8a (C) | 112.3 |
| 9 (C) | 183.7 |
| 9a (C) | 104.4 |
| 10a (C) | 155.7 |
| 1' (CH2) | 27.9 |
| 2' (CH) | 125.9 |
| 3' (C) | 132.2 |
| 4' (CH3) | 26.4 |
| 5' (CH3) | 18.3 |
| 1'' (CH2) | 27.4 |
| 2'' (CH) | 125.6 |
| 3'' (C) | 136.6 |
| 4'' (CH2) | 41.1 |
| 5'' (CH2) | 22.4 |
| 6'' (CH) | 125.8 |
| 7'' (C) | 135.7 |
| 8'' (CH2) | 62.3 |
| 9'' (CH3) | 17.3 |
| 10'' (CH3) | 22.5 |
| 7a (CH3) | 62 |
