Spektraris NMR
3b-Acetoxy-11a,12a-epoxy-16-oxo-14-taraxerene
Common Name: 3b-Acetoxy-11a,12a-epoxy-16-oxo-14-taraxerene
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C32H48O4/c1-18(33)35-23-11-13-30(7)19(28(23,4)5)10-12-31(8)20-16-22(34)29(6)15-14-27(2,3)17-21(29)32(20,9)26-24(36-26)25(30)31/h16,19,21,23-26H,10-15,17H2,1-9H3/t19-,21+,23-,24-,25+,26-,29-,30-,31-,32+/m0/s1
InChIKey: InChIKey=AQEYWFQJKBLSBC-DUYOTORESA-N
Formula: C32H48O4
Molecular Weight: 496.722325
Exact Mass: 496.35526
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Chiang, Y.M., Chang, J.Y., Kuo, C.C., Chang, C.Y., Kuo, Y.H. Phytochemistry (2005) 66, 495-501
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) | 37.7 |
| 2 (CH2) | 23.1 |
| 3 (CH) | 80.4 |
| 4 (C) | 37.7 |
| 5 (CH) | 54.4 |
| 6 (CH2) | 18.6 |
| 7 (CH2) | 39.5 |
| 8 (C) | 40 |
| 9 (CH) | 52.6 |
| 10 (C) | 36.6 |
| 11 (CH) | 51.4 |
| 12 (CH) | 55.4 |
| 13 (C) | 37.6 |
| 14 (C) | 173.9 |
| 15 (CH) | 120.4 |
| 16 (C) | 206.5 |
| 17 (C) | 45.1 |
| 18 (CH) | 45.1 |
| 19 (CH2) | 32.2 |
| 20 (C) | 28.1 |
| 21 (CH2) | 36.3 |
| 22 (CH2) | 27.2 |
| 23 (CH3) | 27.8 |
| 24 (CH3) | 16.5 |
| 25 (CH3) | 17.1 |
| 26 (CH3) | 26 |
| 27 (CH3) | 26 |
| 28 (CH3) | 30.9 |
| 29 (CH3) | 33.9 |
| 30 (CH3) | 30.6 |
| 3a (C) | 170.8 |
| 3b (CH3) | 21.2 |
