Spektraris NMR
Tricalysione B
Common Name: Tricalysione B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H26O5/c1-12-8-17(23)18-14(5-7-25-18)16(22)4-6-19-9-13(2-3-15(12)19)20(24,10-19)11-21/h5,7-8,13,15,17,21,23-24H,2-4,6,9-11H2,1H3/b12-8-/t13-,15+,17-,19+,20+/m1/s1
InChIKey: InChIKey=DJCYGUUFERREOD-ZVTJTZBUSA-N
Formula: C20H26O5
Molecular Weight: 346.418202
Exact Mass: 346.178024
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Nishimura, K., Hitotsuyanagi, Y., Sakakura, K.I., Fujita, K., Tachihara, S., Fukaya, H., Aoyagi, Y., Hasuda, T., Kinoshita, T., Takeya, K. Tetrahedron (2007) 63, 4558-62
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Miscellanea; 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) | 129.8 |
| 2 (CH) | 64.2 |
| 3 (C) | 160.6 |
| 4 (C) | 121.1 |
| 5 (C) | 195.4 |
| 6 (CH2) | 39.3 |
| 7 (CH2) | 35.8 |
| 8 (C) | 48.3 |
| 9 (CH) | 42.2 |
| 10 (C) | 140.3 |
| 11 (CH2) | 23.2 |
| 12 (CH2) | 25.9 |
| 13 (CH) | 45.9 |
| 14 (CH2) | 40.1 |
| 15 (CH2) | 47.4 |
| 16 (C) | 82 |
| 17 (CH2) | 66.1 |
| 18 (CH) | 111.2 |
| 19 (CH) | 142.2 |
| 20 (CH3) | 24.7 |
