Spektraris NMR
24-Hydroxybetulone
Common Name: 24-Hydroxybetulone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H48O3/c1-19(2)20-9-14-30(18-32)16-15-28(5)21(25(20)30)7-8-23-26(3)12-11-24(33)27(4,17-31)22(26)10-13-29(23,28)6/h20-23,25,31-32H,1,7-18H2,2-6H3/t20-,21+,22+,23+,25+,26-,27+,28+,29+,30+/m0/s1
InChIKey: InChIKey=LJCWUZOHKZRSGV-LOUDNMNDSA-N
Formula: C30H48O3
Molecular Weight: 456.701448
Exact Mass: 456.360345
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Nunez, M.J., Reyes, C.P., Jimenez, I.A., Moujir, L., Bazzocchi, I.L. J Nat Prod (2005) 68, 1018-21
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) | 39.3 |
| 2 (CH2) | 34.3 |
| 3 (C) | 221.4 |
| 4 (C) | 50.7 |
| 5 (CH) | 55.3 |
| 6 (CH2) | 19.2 |
| 7 (CH2) | 33.6 |
| 8 (C) | 40.7 |
| 9 (CH) | 49.5 |
| 10 (C) | 36.6 |
| 11 (CH2) | 21.7 |
| 12 (CH2) | 25.2 |
| 13 (CH) | 37.5 |
| 14 (C) | 42.8 |
| 15 (CH2) | 27 |
| 16 (CH2) | 34 |
| 17 (C) | 47.8 |
| 18 (CH) | 48.6 |
| 19 (CH) | 47.8 |
| 20 (C) | 150.3 |
| 21 (CH2) | 29.7 |
| 22 (CH2) | 29.1 |
| 23 (CH3) | 22.1 |
| 24 (CH2) | 65.3 |
| 25 (CH3) | 17 |
| 26 (CH3) | 15.6 |
| 27 (CH3) | 14.7 |
| 28 (CH2) | 60.5 |
| 29 (CH2) | 109.8 |
| 30 (CH3) | 19.1 |
