Spektraris NMR
Cycloartenyl acetate
Common Name: Cycloartenyl acetate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C32H52O2/c1-21(2)10-9-11-22(3)24-14-16-30(8)26-13-12-25-28(5,6)27(34-23(4)33)15-17-31(25)20-32(26,31)19-18-29(24,30)7/h10,22,24-27H,9,11-20H2,1-8H3/t22-,24-,25+,26+,27+,29-,30+,31-,32+/m1/s1
InChIKey: InChIKey=PQNTWKDHNSWVPU-OSWLCJEWSA-N
Formula: C32H52O2
Molecular Weight: 468.755278
Exact Mass: 468.396731
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) | 80.74 |
| 4 (C) | 39.52 |
| 5 (CH) | 47.25 |
| 6 (CH2) | 20.98 |
| 7 (CH2) | 28.18 |
| 8 (CH) | 47.84 |
| 9 (C) | 20.23 |
| 10 (C) | 26.07 |
| 11 (CH2) | 25.86 |
| 12 (CH2) | 35.6 |
| 13 (C) | 45.37 |
| 14 (C) | 48.87 |
| 15 (CH2) | 32.94 |
| 16 (CH2) | 26.6 |
| 17 (CH) | 52.34 |
| 18 (CH3) | 18 |
| 19 (CH2) | 29.79 |
| 20 (CH) | 35.95 |
| 21 (CH3) | 18.31 |
| 22 (CH2) | 36.43 |
| 23 (CH2) | 25.03 |
| 24 (CH) | 125.34 |
| 25 (C) | 130.86 |
| 26 (CH3) | 25.73 |
| 27 (CH3) | 17.66 |
| 28 (CH3) | 19.33 |
| 29 (CH3) | 15.17 |
| 30 (CH3) | 25.48 |
| 3a (C) | 170.9 |
| 3b (CH3) | 21.31 |
