Spektraris NMR
Torvanol A
Common Name: Torvanol A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H20O10S/c1-27-12-4-5-16-14(9-12)20(30-31(24,25)26)15(10-29-16)13-7-11(3-6-18(21)22)8-17(28-2)19(13)23/h3-9,15,20,23H,10H2,1-2H3,(H,21,22)(H,24,25,26)/b6-3+/t15-,20+/m1/s1
InChIKey: InChIKey=XKGLTSPFQHSIDD-POVIPYLNSA-N
Formula: C20H20O10S1
Molecular Weight: 452.433667
Exact Mass: 452.077718
NMR Solvent: D2O
MHz:
Calibration:
NMR references: 13C - Arthan, D., Svasti, J., Kittakoop, P., Pittayakhachonwut, D., Tanticharoen, M., Thebtaranonth, Y. Phytochemistry (2002) 59, 459-63
Species:
Notes: Family : Flavonoids, Type : Isoflavonoids, Group : Isoflavanes; 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 (CH2) | 69.3 |
| 3 (CH) | 50.4 |
| 4 (CH) | 88.3 |
| 5 (CH) | 110.2 |
| 6 (C) | 148 |
| 7 (CH) | 118.9 |
| 8 (CH) | 115.9 |
| 9 (C) | 145.6 |
| 10 (C) | 132.8 |
| 1' (C) | 127.6 |
| 2' (CH) | 112.5 |
| 3' (C) | 130.2 |
| 4' (CH) | 117.4 |
| 5' (C) | 144 |
| 6' (C) | 148.7 |
| 6a (CH3) | 56.2 |
| 3'a (CH) | 141.2 |
| 3'b (CH) | 122.5 |
| 3'c (C) | 176.2 |
| 5'a (CH3) | 56.4 |
