Spektraris NMR
Taxusabietane E
Common Name: Taxusabietane E
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C36H48O15/c1-16(2)22-12-23-24(46-18(4)38)13-26-34(8,9)36(43)11-10-35(26,15-45-36)27(23)28(42)29(22)51-33-32(49-21(7)41)31(48-20(6)40)30(47-19(5)39)25(50-33)14-44-17(3)37/h12,16,24-26,30-33,42-43H,10-11,13-15H2,1-9H3/t24-,25+,26-,30+,31-,32+,33-,35+,36-/m0/s1
InChIKey: InChIKey=KJSXTSKECSXGTJ-SJBPAGOMSA-N
Formula: C36H48O15
Molecular Weight: 720.758722
Exact Mass: 720.299321
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) | 26.4 |
| 2 (CH2) | 29 |
| 3 (C) | 98 |
| 4 (C) | 37.1 |
| 5 (CH) | 46.5 |
| 6 (CH2) | 29.6 |
| 7 (CH) | 72.1 |
| 8 (C) | 123.7 |
| 9 (C) | 135.4 |
| 10 (C) | 40.5 |
| 11 (C) | 148.5 |
| 12 (C) | 140.9 |
| 13 (C) | 139.8 |
| 14 (CH) | 114 |
| 15 (CH) | 25.8 |
| 16 (CH3) | 23.8 |
| 17 (CH3) | 22.3 |
| 18 (CH3) | 26.8 |
| 19 (CH3) | 18.1 |
| 20 (CH2) | 66.3 |
| 1' (CH) | 103.2 |
| 2' (CH) | 71.1 |
| 3' (CH) | 72.6 |
| 4' (CH) | 67.6 |
| 5' (CH) | 72.5 |
| 6' (CH2) | 61.5 |
| 7a (C) | 168.4 |
| 7b (CH3) | 20.4 |
| 2'a (C) | 169.2 |
| 2'b (CH3) | 20.5 |
| 3'a (C) | 170.1 |
| 3'b (CH3) | 20.7 |
| 4'a (C) | 170.4 |
| 4'b (CH3) | 21.2 |
| 6'a (C) | 170.8 |
| 6'b (CH3) | 22.8 |
