Spektraris NMR
24-Methylenecycloartanyl acetate
Common Name: 24-Methylenecycloartanyl acetate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C33H54O2/c1-21(2)22(3)10-11-23(4)25-14-16-31(9)27-13-12-26-29(6,7)28(35-24(5)34)15-17-32(26)20-33(27,32)19-18-30(25,31)8/h21,23,25-28H,3,10-20H2,1-2,4-9H3/t23-,25-,26+,27+,28+,30-,31+,32-,33+/m1/s1
InChIKey: InChIKey=BYIMYSSYXBYIBJ-LLSUAUSMSA-N
Formula: C33H54O2
Molecular Weight: 482.781895
Exact Mass: 482.412381
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) | 20.97 |
| 7 (CH2) | 28.17 |
| 8 (CH) | 47.82 |
| 9 (C) | 20.25 |
| 10 (C) | 26.1 |
| 11 (CH2) | 25.85 |
| 12 (CH2) | 35.59 |
| 13 (C) | 45.41 |
| 14 (C) | 48.9 |
| 15 (CH2) | 32.97 |
| 16 (CH2) | 26.61 |
| 17 (CH) | 52.34 |
| 18 (CH3) | 17.99 |
| 19 (CH2) | 29.76 |
| 20 (CH) | 36.18 |
| 21 (CH3) | 18.37 |
| 22 (CH2) | 35.15 |
| 23 (CH2) | 31.41 |
| 24 (C) | 156.94 |
| 25 (CH) | 33.91 |
| 26 (CH3) | 21.91 |
| 27 (CH3) | 22.03 |
| 28 (CH3) | 19.35 |
| 29 (CH3) | 15.17 |
| 30 (CH3) | 25.47 |
| 3a (C) | 170.9 |
| 3b (CH3) | 21.28 |
| 24a (CH2) | 106.03 |
