Spektraris NMR
(-)-thyrsiflorin B acetate
Common Name: (-)-thyrsiflorin B acetate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C26H40O6/c1-16(27)31-18-13-19-23(2,3)8-7-9-25(19,5)26-11-10-24(4,15-26)20(12-17(18)26)32-22(29)14-21(28)30-6/h17-20H,7-15H2,1-6H3/t17-,18+,19+,20-,24+,25+,26+/m1/s1
InChIKey: InChIKey=BVXCYBXEGSWALE-BLGCMAGHSA-N
Formula: C26H40O6
Molecular Weight: 448.593193
Exact Mass: 448.282489
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Gonzalez, M.A., Zaragoza, R.J. Magn Reson Chem (2005) 43, 877-80
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Thyrsifloranes; 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 (CH2) | 32.25 |
| 2 (CH2) | 18.58 |
| 3 (CH2) | 41.89 |
| 4 (C) | 33.14 |
| 5 (CH) | 45.87 |
| 6 (CH2) | 27.98 |
| 7 (CH) | 75.97 |
| 8 (CH) | 41.8 |
| 9 (C) | 53.2 |
| 10 (C) | 38.4 |
| 11 (CH2) | 44.48 |
| 12 (C) | 43.13 |
| 13 (CH) | 79.31 |
| 14 (CH2) | 30.3 |
| 15 (CH2) | 31.87 |
| 16 (CH2) | 25.82 |
| 17 (CH3) | 22.9 |
| 18 (CH3) | 33.47 |
| 19 (CH3) | 21.93 |
| 20 (CH3) | 17.5 |
| 7a (C) | 170.95 |
| 7b (CH3) | 21.34 |
| 13a (C) | 167.04 |
| 13b (CH2) | 41.64 |
| 13c (C) | 166.23 |
| 13d (CH3) | 52.37 |
