Spektraris NMR
Betulin
Common Name: Betulin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H50O2/c1-19(2)20-10-15-30(18-31)17-16-28(6)21(25(20)30)8-9-23-27(5)13-12-24(32)26(3,4)22(27)11-14-29(23,28)7/h20-25,31-32H,1,8-18H2,2-7H3/t20-,21+,22-,23+,24-,25+,27-,28+,29+,30+/m0/s1
InChIKey: InChIKey=FVWJYYTZTCVBKE-ROUWMTJPSA-N
Formula: C30H50O2
Molecular Weight: 442.717924
Exact Mass: 442.381081
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Martin, G.D., Reynolds, W.F., Reese, P.B. Phytochemistry (2004) 65, 701-10
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) | 27 |
| 3 (CH) | 80 |
| 4 (C) | 38.8 |
| 5 (CH) | 55.2 |
| 6 (CH2) | 18.3 |
| 7 (CH2) | 34.2 |
| 8 (C) | 40.9 |
| 9 (CH) | 50.4 |
| 10 (C) | 37.1 |
| 11 (CH2) | 20.8 |
| 12 (CH2) | 25.2 |
| 13 (CH) | 37.3 |
| 14 (C) | 42.7 |
| 15 (CH2) | 29.7 |
| 16 (CH2) | 33.9 |
| 17 (C) | 56.5 |
| 18 (CH) | 47.8 |
| 19 (CH) | 48.7 |
| 20 (C) | 150.5 |
| 21 (CH2) | 29.1 |
| 22 (CH2) | 27.3 |
| 23 (CH3) | 28 |
| 24 (CH3) | 15.4 |
| 25 (CH3) | 15.9 |
| 26 (CH3) | 16.1 |
| 27 (CH3) | 14.7 |
| 28 (CH2) | 60.5 |
| 29 (CH2) | 109.7 |
| 30 (CH3) | 19.1 |
