Spektraris NMR
D:C-Friedomadeir-7-en-3-one
Common Name: D:C-Friedomadeir-7-en-3-one
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H48O/c1-19(2)30-16-11-20(3)25(30)29(8)15-12-21-22(28(29,7)17-18-30)9-10-23-26(4,5)24(31)13-14-27(21,23)6/h9,19-21,23,25H,10-18H2,1-8H3/t20-,21?,23?,25-,27+,28+,29-,30+/m0/s1
InChIKey: InChIKey=OUOKFSJISOOKJO-KRCCDSHLSA-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) | 38.33 |
| 2 (CH2) | 34.91 |
| 3 (C) | 217.03 |
| 4 (C) | 47.74 |
| 5 (CH) | 51.93 |
| 6 (CH2) | 24.51 |
| 7 (CH) | 116.9 |
| 8 (C) | 145.51 |
| 9 (CH) | 48.05 |
| 10 (C) | 35.27 |
| 11 (CH2) | 16.94 |
| 12 (CH2) | 31 |
| 13 (C) | 36.98 |
| 14 (C) | 40.57 |
| 15 (CH2) | 35.13 |
| 16 (CH2) | 35.85 |
| 17 (C) | 46.72 |
| 18 (CH) | 56.57 |
| 19 (CH) | 35.13 |
| 20 (CH2) | 28.45 |
| 21 (CH2) | 22.09 |
| 22 (CH) | 33.53 |
| 23 (CH3) | 24.51 |
| 24 (CH3) | 21.57 |
| 25 (CH3) | 17.01 |
| 26 (CH3) | 23.07 |
| 27 (CH3) | 24.27 |
| 28 (CH3) | 12.76 |
| 29 (CH3) | 25.77 |
| 30 (CH3) | 17.35 |
