Spektraris NMR
Rautandiol B
Common Name: Rautandiol B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H20O5/c1-20(2,22)18-6-10-5-13-16(8-15(10)24-18)23-9-14-12-4-3-11(21)7-17(12)25-19(13)14/h3-5,7-8,14,18-19,21-22H,6,9H2,1-2H3/t14-,18?,19-/m0/s1
InChIKey: InChIKey=WZYPWKAIYULRHF-CJESRSHOSA-N
Formula: C20H20O5
Molecular Weight: 340.370558
Exact Mass: 340.131074
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Sakurai, Y., Sakurai, N., Taniguchi, M., Nakanishi, Y., Bastow, K.F., Wang, X., Cragg, G.M., Lee, K.H. J Nat Prod (2006) 69, 397-9
Species:
Notes: Family : Flavonoids, Type : Pterocarpanoids; 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 (CH) | 127.7 |
| 2 (C) | 122.5 |
| 3 (C) | 162.7 |
| 4 (CH) | 98.6 |
| 4a (C) | 157.4 |
| 6 (CH2) | 67.8 |
| 6a (CH) | 40.9 |
| 6b (C) | 119.6 |
| 7 (CH) | 126 |
| 8 (CH) | 108.7 |
| 9 (C) | 159.8 |
| 10 (CH) | 98.8 |
| 10a (C) | 162 |
| 11a (CH) | 80.4 |
| 11b (C) | 113.6 |
| 1' (CH2) | 30.8 |
| 2' (CH) | 91.4 |
| 3' (C) | 72.5 |
| 4' (CH3) | 25.4 |
| 5' (CH3) | 25.2 |
