Spektraris NMR
3b-Acetoxy-19(29)-taraxasten-20a-ol
Common Name: 3b-Acetoxy-19(29)-taraxasten-20a-ol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C32H52O3/c1-20-26-22-10-11-24-29(6)14-13-25(35-21(2)33)27(3,4)23(29)12-15-31(24,8)30(22,7)18-16-28(26,5)17-19-32(20,9)34/h22-26,34H,1,10-19H2,2-9H3/t22-,23+,24-,25+,26+,28+,29+,30-,31-,32-/m1/s1
InChIKey: InChIKey=GYFJBHYSPDJIFG-ZECCQPOASA-N
Formula: C32H52O3
Molecular Weight: 484.754683
Exact Mass: 484.391646
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 : Taraxastanes; 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) | 38.4 |
| 2 (CH2) | 23.7 |
| 3 (CH) | 81 |
| 4 (C) | 37.8 |
| 5 (CH) | 55.5 |
| 6 (CH2) | 18.2 |
| 7 (CH2) | 33.6 |
| 8 (C) | 41.1 |
| 9 (CH) | 50.9 |
| 10 (C) | 37.1 |
| 11 (CH2) | 21 |
| 12 (CH2) | 24.7 |
| 13 (CH) | 33 |
| 14 (C) | 42.1 |
| 15 (CH2) | 26.5 |
| 16 (CH2) | 36.6 |
| 17 (C) | 36.2 |
| 18 (CH) | 44.5 |
| 19 (C) | 151.5 |
| 20 (C) | 72.8 |
| 21 (CH2) | 37.8 |
| 22 (CH2) | 37.6 |
| 23 (CH3) | 27.9 |
| 24 (CH3) | 16.4 |
| 25 (CH3) | 16.4 |
| 26 (CH3) | 15.8 |
| 27 (CH3) | 15.7 |
| 28 (CH3) | 16.8 |
| 29 (CH2) | 107.1 |
| 30 (CH3) | 28.1 |
| 3a (C) | 171 |
| 3b (CH3) | 21.3 |
