Spektraris NMR
Taibairubescensin B
Common Name: Taibairubescensin B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C24H34O7/c1-11-14-7-17(30-12(2)25)19-23(6)9-16(28)21(31-13(3)26)22(4,5)18(23)15(27)10-24(19,8-14)20(11)29/h14-19,21,27-28H,1,7-10H2,2-6H3/t14-,15+,16+,17+,18-,19+,21+,23-,24+/m1/s1
InChIKey: InChIKey=QIVPXCIOMAEZGZ-CWXKMRCUSA-N
Formula: C24H34O7
Molecular Weight: 434.523482
Exact Mass: 434.230453
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Li, B.L., Chen, S.N., Shi, Z.X., Chen, Y.Z. Phytochemistry (2000) 53, 855-9
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Kauranes; 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) | 43.2 |
| 2 (CH) | 65 |
| 3 (CH) | 80.9 |
| 4 (C) | 38.4 |
| 5 (CH) | 48.4 |
| 6 (CH) | 65.8 |
| 7 (CH2) | 41.1 |
| 8 (C) | 48.4 |
| 9 (CH) | 62.9 |
| 10 (C) | 39.4 |
| 11 (CH) | 68.5 |
| 12 (CH2) | 37.3 |
| 13 (CH) | 37 |
| 14 (CH2) | 37.7 |
| 15 (C) | 208.7 |
| 16 (C) | 149.1 |
| 17 (CH2) | 113.7 |
| 18 (CH3) | 28.2 |
| 19 (CH3) | 22.6 |
| 20 (CH3) | 19.9 |
| 3a (C) | 171.9 |
| 3b (CH3) | 21.1 |
| 11a (C) | 169.8 |
| 11b (CH3) | 21.6 |
