Spektraris NMR
Styraxlignolide A
Common Name: Styraxlignolide A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C31H40O14/c1-38-19-7-6-16(11-21(19)39-2)20-12-17-9-15(10-22(40-3)29(17)44-20)5-4-8-41-31-28(37)26(35)25(34)23(45-31)14-43-30-27(36)24(33)18(32)13-42-30/h6-7,9-12,18,23-28,30-37H,4-5,8,13-14H2,1-3H3/t18-,23-,24+,25-,26+,27-,28-,30+,31-/m1/s1
InChIKey: InChIKey=CHYBUERPLWTGCK-WPBOZKNHSA-N
Formula: C31H40O14
Molecular Weight: 636.642112
Exact Mass: 636.241806
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Min, B.S., Oh, S.R., Ahn, K.S., Kim, J.H., Lee, J., Kim, D.Y., Kim, E.H., Lee, H.K. Planta Med (2004) 70, 1210-5
Species:
Notes: Family : Aromatics, Type : Stilbenes, Group : Benzofuranoids; 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) | 132.2 |
| 2 (CH) | 113.4 |
| 3 (C) | 138.9 |
| 4 (CH) | 108.6 |
| 5 (C) | 145.9 |
| 6 (C) | 143.5 |
| α (CH) | 101.6 |
| β (C) | 157.6 |
| 1' (C) | 124.5 |
| 2' (CH) | 109.6 |
| 3' (C) | 151 |
| 4' (C) | 151 |
| 5' (CH) | 113 |
| 6' (CH) | 118.8 |
| 1'' (CH2) | 33.3 |
| 2'' (CH2) | 33 |
| 3'' (CH2) | 69.4 |
| 1''' (CH) | 105.2 |
| 2''' (CH) | 75.4 |
| 3''' (CH) | 78.8 |
| 4''' (CH) | 71.6 |
| 5''' (CH) | 77.7 |
| 6''' (CH2) | 70.5 |
| 1'''' (CH) | 106.5 |
| 2'''' (CH) | 76 |
| 3'''' (CH) | 79.1 |
| 4'''' (CH) | 72.1 |
| 5'''' (CH2) | 67.7 |
| 5a (CH3) | 56.4 |
| 3'a (CH3) | 56.3 |
| 4'a (CH3) | 56.5 |
