Spektraris NMR
Teixidol
Common Name: Teixidol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H40O10/c1-13-19(33)10-11-27(9)22(13)24(37-17(5)31)28(26(7,8)34)12-20(35-15(3)29)14(2)21(28)23(36-16(4)30)25(27)38-18(6)32/h19-20,22-25,33-34H,1,10-12H2,2-9H3/t19-,20-,22-,23+,24-,25-,27+,28-/m0/s1
InChIKey: InChIKey=GIBDQJXCQKGHJG-SSCHPQMVSA-N
Formula: C28H40O10
Molecular Weight: 536.612285
Exact Mass: 536.262148
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Soto, J., Fuentes, M., Castedo, L. Phytochemistry (1996) 43, 313-4
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) | 68.74 |
| 2 (CH) | 68.58 |
| 3 (CH) | 43.65 |
| 4 (C) | 146.55 |
| 5 (CH) | 75.5 |
| 6 (CH2) | 37.51 |
| 7 (CH2) | 30.38 |
| 8 (C) | 42.4 |
| 9 (CH) | 76.89 |
| 10 (CH) | 69.1 |
| 11 (C) | 146.83 |
| 12 (C) | 136.02 |
| 13 (CH) | 79.23 |
| 14 (CH2) | 36.81 |
| 15 (C) | 75.37 |
| 16 (CH3) | 25.37 |
| 17 (CH3) | 27.65 |
| 18 (CH3) | 11.09 |
| 19 (CH3) | 17.05 |
| 20 (CH2) | 111.3 |
| 2a (C) | 171.11 |
| 2b (CH3) | 21.73 |
| 9a (C) | 170.93 |
| 9b (CH3) | 21.11 |
| 10a (C) | 169.88 |
| 10b (CH3) | 20.79 |
| 13a (C) | 168.55 |
| 13b (CH3) | 20.65 |
