Spektraris NMR
Petiolin G
Common Name: Petiolin G
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H22O11/c1-8-20(31-9(2)22)18(28)19(29)21(30-8)32-15-7-13(25)6-14(26)16(15)17(27)10-3-11(23)5-12(24)4-10/h3-8,18-21,23-26,28-29H,1-2H3/t8-,18-,19+,20-,21-/m0/s1
InChIKey: InChIKey=SWBFCDGWUODLEJ-YKTMWWCPSA-N
Formula: C21H22O11
Molecular Weight: 450.393605
Exact Mass: 450.116212
NMR Solvent: CD3COCD3
MHz:
Calibration:
NMR references: 13C - Tanaka, N., Kubota, T., Kashiwada, Y., Takaishi, Y., Kobayashi, J. Chem Pharm Bull (2009) 57, 1171-3
Species:
Notes: Family : Aromatics, Type : Benzophenones; 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) | 143.8 |
| 2 (CH) | 106.4 |
| 3 (C) | 158.6 |
| 4 (CH) | 106 |
| 5 (C) | 158.6 |
| 6 (CH) | 106.4 |
| 1' (C) | 106.8 |
| 2' (C) | 158.9 |
| 3' (CH) | 94.4 |
| 4' (C) | 163.8 |
| 5' (CH) | 97 |
| 6' (C) | 163.1 |
| 7' (C) | 198 |
| 1'' (CH) | 98.9 |
| 2'' (CH) | 70.3 |
| 3'' (CH) | 68.7 |
| 4'' (CH) | 73.9 |
| 5'' (CH) | 67.7 |
| 6'' (CH3) | 17.3 |
| 4''a (C) | 170.4 |
| 4''b (CH3) | 20.3 |
