Spektraris NMR
24-Methylenecycloartane-3,28-diol
Common Name: 24-Methylenecycloartane-3,28-diol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C31H52O2/c1-20(2)21(3)8-9-22(4)23-12-14-29(7)25-11-10-24-27(5,19-32)26(33)13-15-30(24)18-31(25,30)17-16-28(23,29)6/h20,22-26,32-33H,3,8-19H2,1-2,4-7H3/t22-,23-,24+,25+,26+,27+,28-,29+,30-,31+/m1/s1
InChIKey: InChIKey=FQXKPPBUTHZNET-NIGXAPAPSA-N
Formula: C31H52O2
Molecular Weight: 456.744542
Exact Mass: 456.396731
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Haba, H., Lavaud, C., Harkat, H., Alabdul Magid, A., Marcourt, L., Benkhaled, M. Phytochemistry (2007) 68, 1255-60
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) | 31.8 |
| 2 (CH2) | 30.4 |
| 3 (CH) | 77.1 |
| 4 (C) | 43.8 |
| 5 (CH) | 42.5 |
| 6 (CH2) | 21 |
| 7 (CH2) | 25.9 |
| 8 (CH) | 47.9 |
| 9 (C) | 19.9 |
| 10 (C) | 26.5 |
| 11 (CH2) | 28.1 |
| 12 (CH2) | 35.7 |
| 13 (C) | 45.2 |
| 14 (C) | 49 |
| 15 (CH2) | 32.8 |
| 16 (CH2) | 26.5 |
| 17 (CH) | 52.2 |
| 18 (CH3) | 18 |
| 19 (CH2) | 30.2 |
| 20 (CH) | 36.1 |
| 21 (CH3) | 18.3 |
| 22 (CH2) | 35.1 |
| 23 (CH2) | 31.3 |
| 24 (C) | 156.9 |
| 25 (CH) | 33.8 |
| 26 (CH3) | 21.8 |
| 27 (CH3) | 21.9 |
| 28 (CH2) | 71.3 |
| 29 (CH3) | 10.1 |
| 30 (CH3) | 19.2 |
| 24a (CH2) | 106.1 |
