Spektraris NMR
Taxusabietane B
Common Name: Taxusabietane B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H26O6/c1-11(2)12-9-13-15(18(27-6)17(12)26-5)21(10-23)8-7-14(24)20(3,4)22(21)19(28-22)16(13)25/h9-11,19H,7-8H2,1-6H3/t19-,21-,22+/m0/s1
InChIKey: InChIKey=BTBAEDPGTULOFY-ILWGZMRPSA-N
Formula: C22H26O6
Molecular Weight: 386.439079
Exact Mass: 386.172939
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) | 142.3 |
| 2 (CH2) | 132 |
| 3 (C) | 200.1 |
| 4 (C) | 48.7 |
| 5 (C) | 67.3 |
| 6 (CH) | 51.5 |
| 7 (C) | 191.6 |
| 8 (C) | 127.8 |
| 9 (C) | 128.4 |
| 10 (C) | 60 |
| 11 (C) | 152.2 |
| 12 (C) | 156 |
| 13 (C) | 145.6 |
| 14 (CH) | 121.3 |
| 15 (CH) | 27.5 |
| 16 (CH3) | 22.9 |
| 17 (CH3) | 23 |
| 18 (CH3) | 19 |
| 19 (CH3) | 24.5 |
| 20 (CH) | 196.5 |
| 11a (CH3) | 60.9 |
| 12a (CH3) | 61.8 |
