Spektraris NMR
Methyl thyrsiflorin B acetate
Common Name: Methyl 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: C+C
MHz:
Calibration:
NMR references: 13C - Chamy, M.C., Piovano, M., Garbarino, J.A., Vargas, C. Phytochemistry (1995) 40, 1751-4
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) | 32.3 |
| 2 (CH2) | 18.6 |
| 3 (CH2) | 41.9 |
| 4 (C) | 33.2 |
| 5 (CH) | 45.9 |
| 6 (CH2) | 27.8 |
| 7 (CH) | 77.7 |
| 8 (CH) | 41.7 |
| 9 (C) | 53.3 |
| 10 (C) | 38.4 |
| 11 (CH2) | 44.5 |
| 12 (C) | 43 |
| 13 (CH) | 77.7 |
| 14 (CH2) | 30.4 |
| 15 (CH2) | 32 |
| 16 (CH2) | 25.9 |
| 17 (CH3) | 23 |
| 18 (CH3) | 33.5 |
| 19 (CH3) | 22 |
| 20 (CH3) | 17.5 |
| 7a (C) | 170.8 |
| 7b (CH3) | 21.2 |
| 13a (C) | 166.6 |
| 13b (CH2) | 41.9 |
| 13c (C) | 167 |
| 13d (CH3) | 53.3 |
