Spektraris NMR
Taxumairol Q
Common Name: Taxumairol Q
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C24H36O10/c1-10-13(27)8-23(21(4,5)31)16(10)17(29)19(30)22(6)14(28)7-15-24(9-32-15,34-12(3)26)18(22)20(23)33-11(2)25/h13-15,17-20,27-31H,7-9H2,1-6H3/t13-,14-,15+,17+,18-,19-,20-,22+,23-,24-/m0/s1
InChIKey: InChIKey=TVMSZRKICIOFTN-XQONWTRDSA-N
Formula: C24H36O10
Molecular Weight: 484.537578
Exact Mass: 484.230847
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Shen, Y.C., Wang, S.S., Pan, Y.L., Lo, K.L., Chakraborty, R., Chien, C.T., Kuo, Y.H., Lin, Y.C. J Nat Prod (2002) 65, 1848-52
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) | 67.1 |
| 2 (CH) | 68.8 |
| 3 (CH) | 44.2 |
| 4 (C) | 80.4 |
| 5 (CH) | 85.2 |
| 6 (CH2) | 37.4 |
| 7 (CH) | 72.4 |
| 8 (C) | 42.5 |
| 9 (CH) | 68.8 |
| 10 (CH) | 80.6 |
| 11 (C) | 137.1 |
| 12 (C) | 147.1 |
| 13 (CH) | 77.6 |
| 14 (CH2) | 39.7 |
| 15 (C) | 76.5 |
| 16 (CH3) | 25 |
| 17 (CH3) | 27.8 |
| 18 (CH3) | 11.3 |
| 19 (CH3) | 12 |
| 20 (CH2) | 74.8 |
| 2a (C) | 170.7 |
| 2b (CH3) | 21.7 |
| 4a (C) | 171.2 |
| 4b (CH3) | 22.4 |
