Spektraris NMR
D-Friedomadeir-14-en-3-one
Common Name: D-Friedomadeir-14-en-3-one
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H48O/c1-19(2)30-17-9-20(3)25(30)29(8)15-11-22-27(6)16-13-24(31)26(4,5)21(27)10-14-28(22,7)23(29)12-18-30/h12,19-22,25H,9-11,13-18H2,1-8H3/t20-,21?,22?,25-,27-,28+,29+,30+/m0/s1
InChIKey: InChIKey=JNXIOHHREZIVAB-PFFPHCPCSA-N
Formula: C30H48O1
Molecular Weight: 424.702638
Exact Mass: 424.370516
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Lima, E.M., Medeiros, J.M., Davin, L.B. Phytochemistry (2003) 63, 421-5
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Miscellanea; 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) | 38.34 |
| 2 (CH2) | 34.15 |
| 3 (C) | 217.63 |
| 4 (C) | 47.56 |
| 5 (CH) | 55.7 |
| 6 (CH2) | 19.9 |
| 7 (CH2) | 33.31 |
| 8 (C) | 38.96 |
| 9 (CH) | 48.84 |
| 10 (C) | 38.29 |
| 11 (CH2) | 17.06 |
| 12 (CH2) | 30.19 |
| 13 (C) | 37.66 |
| 14 (C) | 156.95 |
| 15 (CH) | 118.43 |
| 16 (CH2) | 40.95 |
| 17 (C) | 50.13 |
| 18 (CH) | 63.42 |
| 19 (CH) | 34.36 |
| 20 (CH2) | 32.14 |
| 21 (CH2) | 38.52 |
| 22 (CH) | 34 |
| 23 (CH3) | 26.04 |
| 24 (CH3) | 21.52 |
| 25 (CH3) | 14.7 |
| 26 (CH3) | 16.66 |
| 27 (CH3) | 24.85 |
| 28 (CH3) | 18.99 |
| 29 (CH3) | 24.51 |
| 30 (CH3) | 19.55 |
