Spektraris NMR
Taxusabietane A
Common Name: Taxusabietane A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H28O4/c1-11(2)12-9-13-14(22)10-15-20(3,4)16(23)7-8-21(15,5)17(13)18(24)19(12)25-6/h9,11,15,24H,7-8,10H2,1-6H3/t15-,21-/m0/s1
InChIKey: InChIKey=YUGJHEXCGCZVTH-BTYIYWSLSA-N
Formula: C21H28O4
Molecular Weight: 344.445415
Exact Mass: 344.198759
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Yang, S.J., Fang, J.M., Cheng, Y.S. Phytochemistry (1998) 49, 2037-43
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Abietanes; 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) | 35.3 |
| 2 (CH2) | 34.4 |
| 3 (C) | 216 |
| 4 (C) | 47 |
| 5 (CH) | 49.4 |
| 6 (CH2) | 36.1 |
| 7 (C) | 197.5 |
| 8 (C) | 128.2 |
| 9 (C) | 135.6 |
| 10 (C) | 38.8 |
| 11 (C) | 146.6 |
| 12 (C) | 149.3 |
| 13 (C) | 139.8 |
| 14 (CH) | 117.3 |
| 15 (CH) | 26.7 |
| 16 (CH3) | 23.4 |
| 17 (CH3) | 23.5 |
| 18 (CH3) | 26.9 |
| 19 (CH3) | 20.7 |
| 20 (CH3) | 17.6 |
| 12a (CH3) | 61.9 |
