Spektraris NMR
Taxusabietane D
Common Name: Taxusabietane D
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C38H50O16/c1-17(2)24-13-25-26(49-20(5)41)14-28-37(9,10)29(45)11-12-38(28,16-48-19(4)40)30(25)31(46)32(24)54-36-35(52-23(8)44)34(51-22(7)43)33(50-21(6)42)27(53-36)15-47-18(3)39/h13,17,26-28,33-36,46H,11-12,14-16H2,1-10H3/t26-,27+,28-,33+,34-,35+,36-,38+/m0/s1
InChIKey: InChIKey=CXTTYCULUTUTIW-ZDVSSSEGSA-N
Formula: C38H50O16
Molecular Weight: 762.795481
Exact Mass: 762.309886
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) | 28.6 |
| 2 (CH2) | 34 |
| 3 (C) | 216 |
| 4 (C) | 46 |
| 5 (CH) | 46.4 |
| 6 (CH2) | 32 |
| 7 (CH) | 71.8 |
| 8 (C) | 127.4 |
| 9 (C) | 134.2 |
| 10 (C) | 40.1 |
| 11 (C) | 147.9 |
| 12 (C) | 141.2 |
| 13 (C) | 140.3 |
| 14 (CH) | 114.9 |
| 15 (CH) | 25.8 |
| 16 (CH3) | 23.8 |
| 17 (CH3) | 25.2 |
| 18 (CH3) | 26.3 |
| 19 (CH3) | 18.4 |
| 20 (CH2) | 64.2 |
| 1' (CH) | 103.1 |
| 2' (CH) | 71.1 |
| 3' (CH) | 72.6 |
| 4' (CH) | 67.5 |
| 5' (CH) | 72.5 |
| 6' (CH2) | 61.2 |
| 7a (C) | 168.8 |
| 7b (CH3) | 20.4 |
| 20a (C) | 169.1 |
| 20b (CH3) | 20.5 |
| 2'a (C) | 170 |
| 2'b (CH3) | 20.8 |
| 3'a (C) | 170.1 |
| 3'b (CH3) | 21.3 |
| 4'a (C) | 170.4 |
| 4'b (CH3) | 22.2 |
| 6'a (C) | 170.8 |
| 6'b (CH3) | 22.4 |
