Spektraris NMR
7b-Hydroxy-3-oxolup-20(29)-ene
Common Name: 7b-Hydroxy-3-oxolup-20(29)-ene
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H48O2/c1-18(2)19-11-13-27(5)15-16-29(7)20(25(19)27)9-10-21-28(6)14-12-23(31)26(3,4)22(28)17-24(32)30(21,29)8/h19-22,24-25,32H,1,9-17H2,2-8H3/t19-,20+,21+,22-,24-,25+,27+,28+,29+,30-/m0/s1
InChIKey: InChIKey=MREFSUHVRKHKLN-WWWBCOLUSA-N
Formula: C30H48O2
Molecular Weight: 440.702043
Exact Mass: 440.365431
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Anaya J., Caballero M.C., Grande M., Navarro J.J., Tapia I., Almeida J.F. Phytochemistry (1989) 28, 2206
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) | 39.5 |
| 2 (CH2) | 34.1 |
| 3 (C) | 217 |
| 4 (C) | 46.8 |
| 5 (CH) | 52.4 |
| 6 (CH2) | 30 |
| 7 (CH) | 74.1 |
| 8 (C) | 44.5 |
| 9 (CH) | 50 |
| 10 (C) | 37 |
| 11 (CH2) | 21.6 |
| 12 (CH2) | 25.4 |
| 13 (CH) | 38.8 |
| 14 (C) | 42.8 |
| 15 (CH2) | 30.5 |
| 16 (CH2) | 36.1 |
| 17 (C) | 42.8 |
| 18 (CH) | 48.2 |
| 19 (CH) | 46.8 |
| 20 (C) | 150.9 |
| 21 (CH2) | 30 |
| 22 (CH2) | 40.2 |
| 23 (CH3) | 26.6 |
| 24 (CH3) | 21 |
| 25 (CH3) | 15.6 |
| 26 (CH3) | 10 |
| 27 (CH3) | 14.9 |
| 28 (CH3) | 18 |
| 29 (CH2) | 109.4 |
| 30 (CH3) | 19.5 |
