Spektraris NMR
Lupeol methyl ether
Common Name: Lupeol methyl ether
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C31H52O/c1-20(2)21-12-15-28(5)18-19-30(7)22(26(21)28)10-11-24-29(6)16-14-25(32-9)27(3,4)23(29)13-17-31(24,30)8/h21-26H,1,10-19H2,2-9H3/t21-,22+,23-,24+,25-,26+,28+,29-,30+,31+/m0/s1
InChIKey: InChIKey=KZKFBEQAUKRRAG-VOAUEXJWSA-N
Formula: C31H52O1
Molecular Weight: 440.745137
Exact Mass: 440.401816
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Gonzalez A.G., Fraga B.M., Gonzalez P., Marta M., Monache F.D., Bettolo G.B.M., Mello J.F.D., Goncalves. Phytochemistry (1982) 21, 470
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) | 38.7 |
| 2 (CH2) | 22.3 |
| 3 (CH) | 88.7 |
| 4 (C) | 38.7 |
| 5 (CH) | 56 |
| 6 (CH2) | 18.3 |
| 7 (CH2) | 34.4 |
| 8 (C) | 40.9 |
| 9 (CH) | 50.5 |
| 10 (C) | 37.2 |
| 11 (CH2) | 21 |
| 12 (CH2) | 25.3 |
| 13 (CH) | 38.1 |
| 14 (C) | 42.9 |
| 15 (CH2) | 27.5 |
| 16 (CH2) | 35.7 |
| 17 (C) | 42.9 |
| 18 (CH) | 48.4 |
| 19 (CH) | 48.1 |
| 20 (C) | 150.9 |
| 21 (CH2) | 29.9 |
| 22 (CH2) | 40.1 |
| 23 (CH3) | 28 |
| 24 (CH3) | 16.1 |
| 25 (CH3) | 16.1 |
| 26 (CH3) | 16.1 |
| 27 (CH3) | 14.6 |
| 28 (CH3) | 18.1 |
| 29 (CH2) | 109.3 |
| 30 (CH3) | 19.4 |
| 3a (CH3) | 57.4 |
