Spektraris NMR
25,26,27-Trisnor-3β-acetoxy-24-dimethoxycicloartane
Common Name: 25,26,27-Trisnor-3β-acetoxy-24-dimethoxycicloartane
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C31H52O4/c1-20(9-12-26(33-7)34-8)22-13-15-29(6)24-11-10-23-27(3,4)25(35-21(2)32)14-16-30(23)19-31(24,30)18-17-28(22,29)5/h20,22-26H,9-19H2,1-8H3/t20-,22-,23+,24+,25+,28-,29+,30-,31+/m1/s1
InChIKey: InChIKey=YCEMGPUWGFJIFS-CHIINMNOSA-N
Formula: C31H52O4
Molecular Weight: 488.743352
Exact Mass: 488.38656
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - de Pascual Teresa, J., Urones, J.G., Marcos, I.S., Basabe, P., Sexmero Cuadrado, M.J., Fernandez Moro, R. Phytochemistry (1987) 26, 1767-76
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Cycloartanes; 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) | 31.68 |
| 2 (CH2) | 26.87 |
| 3 (CH) | 80.75 |
| 4 (C) | 39.52 |
| 5 (CH) | 47.25 |
| 6 (CH2) | 20.96 |
| 7 (CH2) | 28.14 |
| 8 (CH) | 47.84 |
| 9 (C) | 20.23 |
| 10 (C) | 26.1 |
| 11 (CH2) | 25.85 |
| 12 (CH2) | 35.57 |
| 13 (C) | 45.38 |
| 14 (C) | 48.9 |
| 15 (CH2) | 32.94 |
| 16 (CH2) | 26.58 |
| 17 (CH) | 52.17 |
| 18 (CH3) | 18 |
| 19 (CH2) | 29.77 |
| 20 (CH) | 35.89 |
| 21 (CH3) | 18.32 |
| 22 (CH2) | 30.92 |
| 23 (CH2) | 29.33 |
| 24 (CH) | 105.17 |
| 28 (CH3) | 19.33 |
| 29 (CH3) | 15.18 |
| 30 (CH3) | 25.47 |
| 3a (C) | 170.9 |
| 3b (CH3) | 21.31 |
| 24a (CH3) | 52.4 |
| 24b (CH3) | 52.7 |
