Spektraris NMR
2''-O-(2'''-Methylbutyryl)isoswertisin
Common Name: 2''-O-(2'''-Methylbutyryl)isoswertisin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C27H30O11/c1-4-12(2)27(34)38-26-23(33)22(32)19(11-28)37-25(26)21-18(35-3)10-16(31)20-15(30)9-17(36-24(20)21)13-5-7-14(29)8-6-13/h5-10,12,19,22-23,25-26,28-29,31-33H,4,11H2,1-3H3/t12?,19-,22-,23+,25+,26-/m1/s1
InChIKey: InChIKey=NMPAISVEPHNOCP-XYQODNNLSA-N
Formula: C27H30O11
Molecular Weight: 530.521546
Exact Mass: 530.178812
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - Zou, J.H., Yang, J., Zhou, L. J Nat Prod (2004) 67, 664-7
Species:
Notes: Family : Flavonoids, Type : Flavonoids, Group : Flavones; 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 |
|---|---|
| 2 (C) | 164.2 |
| 3 (CH) | 102.2 |
| 4 (C) | 181.9 |
| 5 (C) | 161.5 |
| 6 (CH) | 94.4 |
| 7 (C) | 162.5 |
| 8 (C) | 103.1 |
| 9 (C) | 155.4 |
| 10 (C) | 103.9 |
| 1' (C) | 121.2 |
| 2' (CH) | 128.9 |
| 3' (CH) | 115.6 |
| 4' (C) | 161 |
| 5' (CH) | 115.6 |
| 6' (CH) | 128.9 |
| 1'' (CH) | 70.3 |
| 2'' (CH) | 71.3 |
| 3'' (CH) | 75.4 |
| 4'' (CH) | 70.2 |
| 5'' (CH) | 81.8 |
| 6'' (CH2) | 60.6 |
| 7a (CH3) | 56.2 |
| 2''a (C) | 174.2 |
| 2''b (CH) | 40 |
| 2''c (CH2) | 25.5 |
| 2''d (CH3) | 10.9 |
| 2''e (CH3) | 16.2 |
