Spektraris NMR
3β-acetoxy-24,25-epoxycycloartanol
Common Name: 3β-acetoxy-24,25-epoxycycloartanol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C32H52O3/c1-20(9-12-26-28(5,6)35-26)22-13-15-30(8)24-11-10-23-27(3,4)25(34-21(2)33)14-16-31(23)19-32(24,31)18-17-29(22,30)7/h20,22-26H,9-19H2,1-8H3/t20-,22-,23+,24+,25+,26+,29-,30+,31-,32+/m1/s1
InChIKey: InChIKey=PLCWLUBXTCUJSK-PLGGWPGBSA-N
Formula: C32H52O3
Molecular Weight: 484.754683
Exact Mass: 484.391646
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) | 31.65 |
| 2 (CH2) | 26.83 |
| 3 (CH) | 80.67 |
| 4 (C) | 39.49 |
| 5 (CH) | 47.28 |
| 6 (CH2) | 20.93 |
| 7 (CH2) | 28.15 |
| 8 (CH) | 47.76 |
| 9 (C) | 20.19 |
| 10 (C) | 26.09 |
| 11 (CH2) | 25.81 |
| 12 (CH2) | 35.55 |
| 13 (C) | 45.38 |
| 14 (C) | 48.88 |
| 15 (CH2) | 32.92 |
| 16 (CH2) | 26.56 |
| 17 (CH) | 52.32 |
| 18 (CH3) | 17.95 |
| 19 (CH2) | 29.71 |
| 20 (CH) | 36 |
| 21 (CH3) | 18.33 |
| 22 (CH2) | 32.92 |
| 23 (CH2) | 26 |
| 24 (CH) | 64.87 |
| 25 (C) | 58.22 |
| 26 (CH3) | 18.68 |
| 27 (CH3) | 24.93 |
| 28 (CH3) | 19.31 |
| 29 (CH3) | 15.15 |
| 30 (CH3) | 25.44 |
| 3a (C) | 170.91 |
| 3b (CH3) | 21.22 |
