Spektraris NMR
Lupane
Common Name: Lupane
Synonyms: Lupane
CAS Registry Number:
InChI: InChI=1S/C30H52/c1-20(2)21-12-16-27(5)18-19-29(7)22(25(21)27)10-11-24-28(6)15-9-14-26(3,4)23(28)13-17-30(24,29)8/h20-25H,9-19H2,1-8H3/t21-,22+,23-,24+,25+,27+,28-,29+,30+/m0/s1
InChIKey: InChIKey=NKMDIWKRKQFYPH-VIUFNMEASA-N
Formula: C30H52
Molecular Weight: 412.734996
Exact Mass: 412.406902
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Wenkert E., Baddeley G.V., Burfitt I.R., Moreno L.N Org Magn Reson (1978) 11, 337
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) | 40.5 |
| 2 (CH2) | 18.8 |
| 3 (CH2) | 42.3 |
| 4 (C) | 33.3 |
| 5 (CH) | 56.5 |
| 6 (CH2) | 18.8 |
| 7 (CH2) | 34.6 |
| 8 (C) | 41.3 |
| 9 (CH) | 50.4 |
| 10 (C) | 37.6 |
| 11 (CH2) | 21 |
| 12 (CH2) | 27.1 |
| 13 (CH) | 38.1 |
| 14 (C) | 43.2 |
| 15 (CH2) | 27.5 |
| 16 (CH2) | 35.8 |
| 17 (C) | 43.2 |
| 18 (CH) | 47.8 |
| 19 (CH) | 44.9 |
| 20 (CH) | 29.5 |
| 21 (CH2) | 22 |
| 22 (CH2) | 40.5 |
| 23 (CH3) | 33.4 |
| 24 (CH3) | 21.7 |
| 25 (CH3) | 16.1 |
| 26 (CH3) | 16.2 |
| 27 (CH3) | 14.6 |
| 28 (CH3) | 18.2 |
| 29 (CH3) | 15.2 |
| 30 (CH3) | 23 |
