Spektraris NMR
Lupenone
Common Name: Lupenone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H48O/c1-19(2)20-11-14-27(5)17-18-29(7)21(25(20)27)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h20-23,25H,1,9-18H2,2-8H3/t20-,21+,22-,23+,25+,27+,28-,29+,30+/m0/s1
InChIKey: InChIKey=GRBHNQFQFHLCHO-BHMAJAPKSA-N
Formula: C30H48O1
Molecular Weight: 424.702638
Exact Mass: 424.370516
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Carpenter R.C., Sotheeswaram S., Sultanbawa M.U.S., Ternai B. Org Magn Reson (1980) 14, 462
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) | 39.6 |
| 2 (CH2) | 34.1 |
| 3 (C) | 217.9 |
| 4 (C) | 47.3 |
| 5 (CH) | 55 |
| 6 (CH2) | 19.6 |
| 7 (CH2) | 33.6 |
| 8 (C) | 40.9 |
| 9 (CH) | 49.8 |
| 10 (C) | 36.9 |
| 11 (CH2) | 21.5 |
| 12 (CH2) | 25.2 |
| 13 (CH) | 38.2 |
| 14 (C) | 42.9 |
| 15 (CH2) | 27.4 |
| 16 (CH2) | 35.6 |
| 17 (C) | 42.9 |
| 18 (CH) | 48.3 |
| 19 (CH) | 47.9 |
| 20 (C) | 150.7 |
| 21 (CH2) | 29.9 |
| 22 (CH2) | 40 |
| 23 (CH3) | 26.6 |
| 24 (CH3) | 21 |
| 25 (CH3) | 15.8 |
| 26 (CH3) | 15.9 |
| 27 (CH3) | 14.4 |
| 28 (CH3) | 18 |
| 29 (CH2) | 109.2 |
| 30 (CH3) | 19.3 |
