Spektraris NMR
5-Trocbrevifoliol
Common Name: 5-Trocbrevifoliol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C31H40O9/c1-16-21-14-31(29(5,6)37)15-23(35)17(2)25(31)26(40-28(36)20-11-9-8-10-12-20)27(39-19(4)33)30(21,7)24(13-22(16)34)38-18(3)32/h8-12,21-24,26-27,34-35,37H,1,13-15H2,2-7H3/t21-,22+,23+,24+,26-,27+,30+,31+/m1/s1
InChIKey: InChIKey=VWGCDYGRSUJYGJ-GPOPEEISSA-N
Formula: C31H40O9
Molecular Weight: 556.645087
Exact Mass: 556.267233
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Tremblay, S., Soucy, C., Towers, N., Gunning, P.J., Breau, L. J Nat Prod (2004) 67, 838-45
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Abeo-Taxanes; 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) | 63.2 |
| 2 (CH2) | 29 |
| 3 (CH) | 38.9 |
| 4 (C) | 144.5 |
| 5 (CH) | 80 |
| 6 (CH2) | 33.5 |
| 7 (CH) | 69.2 |
| 8 (C) | 44.7 |
| 9 (CH) | 76.7 |
| 10 (CH) | 70.7 |
| 11 (C) | 134.2 |
| 12 (C) | 151.8 |
| 13 (CH) | 77.6 |
| 14 (CH2) | 48.1 |
| 15 (C) | 75.4 |
| 16 (CH3) | 27 |
| 17 (CH3) | 24.8 |
| 18 (CH3) | 11.8 |
| 19 (CH3) | 12.8 |
| 20 (CH2) | 115.2 |
| 7a (C) | 169.7 |
| 7b (CH3) | 20.7 |
| 9a (C) | 169.8 |
| 9b (CH3) | 21.3 |
| 10a (C) | 164.1 |
| 10b (C) | 129.2 |
| 10c (CH) | 129.4 |
| 10d (CH) | 128.8 |
| 10e (CH) | 133.3 |
| 10f (CH) | 128.8 |
| 10g (CH) | 129.4 |
