Spektraris NMR
19-Methyl-29-norlupane-3,20-dione
Common Name: 19-Methyl-29-norlupane-3,20-dione
Synonyms: 19-Methyl-29-norlupane-3,20-dione
CAS Registry Number:
InChI: InChI=1S/C30H48O2/c1-19(31)27(5)17-15-26(4)16-18-29(7)20(24(26)27)9-10-22-28(6)13-12-23(32)25(2,3)21(28)11-14-30(22,29)8/h20-22,24H,9-18H2,1-8H3/t20-,21+,22-,24-,26-,27+,28+,29-,30-/m1/s1
InChIKey: InChIKey=YZQVZVXMDDBIFG-SDISCSRUSA-N
Formula: C30H48O2
Molecular Weight: 440.702043
Exact Mass: 440.365431
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Kuo, Y.H., Lin, H.Y. Helv Chim Acta (2004) 87, 1071-6
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Lupanes; 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) | 39.5 |
| 2 (CH2) | 34.1 |
| 3 (C) | 218.1 |
| 4 (C) | 47.3 |
| 5 (CH) | 54.9 |
| 6 (CH2) | 19.7 |
| 7 (CH2) | 33.4 |
| 8 (C) | 40.9 |
| 9 (CH) | 49.9 |
| 10 (C) | 36.9 |
| 11 (CH2) | 21.3 |
| 12 (CH2) | 25.4 |
| 13 (CH) | 34.8 |
| 14 (C) | 43.2 |
| 15 (CH2) | 27.5 |
| 16 (CH2) | 37.8 |
| 17 (C) | 43.4 |
| 18 (CH) | 50.6 |
| 19 (C) | 54.9 |
| 20 (C) | 213.9 |
| 21 (CH2) | 37.7 |
| 22 (CH2) | 40.5 |
| 23 (CH3) | 26.6 |
| 24 (CH3) | 21.6 |
| 25 (CH3) | 15.9 |
| 26 (CH3) | 15.7 |
| 27 (CH3) | 15.2 |
| 28 (CH3) | 20 |
| 29 (CH3) | 20.2 |
| 30 (CH3) | 25.4 |
