Spektraris NMR
11a-Hydroxy-epi-betulin
Common Name: 11a-Hydroxy-epi-betulin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H50O3/c1-18(2)19-8-13-30(17-31)15-14-28(6)20(24(19)30)16-21(32)25-27(5)11-10-23(33)26(3,4)22(27)9-12-29(25,28)7/h19-25,31-33H,1,8-17H2,2-7H3/t19-,20+,21+,22-,23+,24+,25+,27-,28+,29+,30+/m0/s1
InChIKey: InChIKey=JHLFBTHILYSMRW-HIZNAZLYSA-N
Formula: C30H50O3
Molecular Weight: 458.717329
Exact Mass: 458.375995
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) | 35.5 |
| 2 (CH2) | 25.6 |
| 3 (CH) | 75.9 |
| 4 (C) | 37.8 |
| 5 (CH) | 48.9 |
| 6 (CH2) | 18 |
| 7 (CH2) | 35.1 |
| 8 (C) | 42.6 |
| 9 (CH) | 55.6 |
| 10 (C) | 39.1 |
| 11 (CH) | 70.5 |
| 12 (CH2) | 37.6 |
| 13 (CH) | 36.3 |
| 14 (C) | 42.9 |
| 15 (CH2) | 27 |
| 16 (CH2) | 33.8 |
| 17 (C) | 47.8 |
| 18 (CH) | 48.2 |
| 19 (CH) | 47.6 |
| 20 (C) | 149.8 |
| 21 (CH2) | 29.1 |
| 22 (CH2) | 29.3 |
| 23 (CH3) | 22.3 |
| 24 (CH3) | 28.7 |
| 25 (CH3) | 16.3 |
| 26 (CH3) | 17.2 |
| 27 (CH3) | 14.1 |
| 28 (CH2) | 60.6 |
| 29 (CH2) | 110.2 |
| 30 (CH3) | 19.1 |
