Spektraris NMR
3b,11a-Dimethoxytaraxer-14-en-12-one
Common Name: 3b,11a-Dimethoxytaraxer-14-en-12-one
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C32H52O3/c1-27(2)17-18-29(5)14-11-21-31(7)15-12-20-28(3,4)23(34-9)13-16-30(20,6)25(31)24(35-10)26(33)32(21,8)22(29)19-27/h11,20,22-25H,12-19H2,1-10H3/t20-,22+,23-,24-,25+,29-,30-,31-,32+/m0/s1
InChIKey: InChIKey=DMZGAXYWEUGMAV-HUYYHLCJSA-N
Formula: C32H52O3
Molecular Weight: 484.754683
Exact Mass: 484.391646
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Herat, H.M., Athukoralage, P.S., Jamie, J.F. Phytochemistry (2000) 54, 823-7
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Taraxeranes; 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) | 38.9 |
| 2 (CH2) | 27.3 |
| 3 (CH) | 82.7 |
| 4 (C) | 38.8 |
| 5 (CH) | 55 |
| 6 (CH2) | 18.8 |
| 7 (CH2) | 39.8 |
| 8 (C) | 39 |
| 9 (CH) | 50.4 |
| 10 (C) | 38.5 |
| 11 (CH) | 78.6 |
| 12 (C) | 209.8 |
| 13 (C) | 50.3 |
| 14 (C) | 154.7 |
| 15 (CH) | 118.4 |
| 16 (CH2) | 35.2 |
| 17 (C) | 37.2 |
| 18 (CH) | 39.7 |
| 19 (CH2) | 38.3 |
| 20 (C) | 29.9 |
| 21 (CH2) | 33.3 |
| 22 (CH2) | 37.8 |
| 23 (CH3) | 29.2 |
| 24 (CH3) | 15.6 |
| 25 (CH3) | 17.5 |
| 26 (CH3) | 24.6 |
| 27 (CH3) | 20.4 |
| 28 (CH3) | 29.7 |
| 29 (CH3) | 33.2 |
| 30 (CH3) | 28.2 |
| 3a (CH3) | 56.7 |
| 11a (CH3) | 56.6 |
