Spektraris NMR
30-Hydroxybetulin
Common Name: 30-Hydroxybetulin
Synonyms: 30-Hydroxybetulin
CAS Registry Number:
InChI: InChI=1S/C30H50O3/c1-19(17-31)20-9-14-30(18-32)16-15-28(5)21(25(20)30)7-8-23-27(4)12-11-24(33)26(2,3)22(27)10-13-29(23,28)6/h20-25,31-33H,1,7-18H2,2-6H3/t20-,21+,22-,23+,24-,25+,27-,28+,29+,30+/m0/s1
InChIKey: InChIKey=XTNACZMKNVUNAA-ROUWMTJPSA-N
Formula: C30H50O3
Molecular Weight: 458.717329
Exact Mass: 458.375995
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Gonzalez A. G., Jimenez A., Ravelo A. G. Phytochemistry (1992) 31, 2069
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) | 38.2 |
| 2 (CH2) | 30.6 |
| 3 (CH) | 82.3 |
| 4 (C) | 40.9 |
| 5 (CH) | 59.5 |
| 6 (CH2) | 22 |
| 7 (CH2) | 37.5 |
| 8 (C) | 42.7 |
| 9 (CH) | 54.5 |
| 10 (C) | 32.2 |
| 11 (CH2) | 24.7 |
| 12 (CH2) | 30.8 |
| 13 (CH) | 41.3 |
| 14 (C) | 44.8 |
| 15 (CH2) | 33 |
| 16 (CH2) | 38 |
| 17 (C) | 46.4 |
| 18 (CH) | 53.3 |
| 19 (CH) | 47.4 |
| 20 (C) | 150.7 |
| 21 (CH2) | 35.4 |
| 22 (CH2) | 33.1 |
| 23 (CH3) | 31.2 |
| 24 (CH3) | 19.3 |
| 25 (CH3) | 18.6 |
| 26 (CH3) | 19.2 |
| 27 (CH3) | 17.8 |
| 28 (CH2) | 62.9 |
| 29 (CH2) | 109.8 |
| 30 (CH2) | 67.8 |
