Spektraris NMR
24-methylenecycloartanol
Common Name: 24-methylenecycloartanol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C31H52O/c1-20(2)21(3)9-10-22(4)23-13-15-29(8)25-12-11-24-27(5,6)26(32)14-16-30(24)19-31(25,30)18-17-28(23,29)7/h20,22-26,32H,3,9-19H2,1-2,4-8H3/t22-,23-,24+,25+,26+,28-,29+,30-,31+/m1/s1
InChIKey: InChIKey=BDHQMRXFDYJGII-UEBIAWITSA-N
Formula: C31H52O1
Molecular Weight: 440.745137
Exact Mass: 440.401816
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) | 32.07 |
| 2 (CH2) | 30.45 |
| 3 (CH) | 78.83 |
| 4 (C) | 40.54 |
| 5 (CH) | 47.21 |
| 6 (CH2) | 21.19 |
| 7 (CH2) | 28.2 |
| 8 (CH) | 48.02 |
| 9 (C) | 20.08 |
| 10 (C) | 26.23 |
| 11 (CH2) | 26.07 |
| 12 (CH2) | 35.65 |
| 13 (C) | 45.41 |
| 14 (C) | 48.89 |
| 15 (CH2) | 33.02 |
| 16 (CH2) | 26.58 |
| 17 (CH) | 52.37 |
| 18 (CH3) | 18.06 |
| 19 (CH2) | 29.93 |
| 20 (CH) | 36.18 |
| 21 (CH3) | 18.39 |
| 22 (CH2) | 35.15 |
| 23 (CH2) | 31.41 |
| 24 (C) | 156.79 |
| 25 (CH) | 33.89 |
| 26 (CH3) | 21.94 |
| 27 (CH3) | 22.06 |
| 28 (CH3) | 19.4 |
| 29 (CH3) | 14.06 |
| 30 (CH3) | 25.52 |
| 24a (CH2) | 106.1 |
