Spektraris NMR
4alpha-Hydroxyfriedela-3-one
Common Name: 4alpha-Hydroxyfriedela-3-one
Synonyms: 4alpha-Hydroxyfriedela-3-one
CAS Registry Number:
InChI: InChI=1S/C30H50O2/c1-24(2)13-14-25(3)15-17-27(5)21-11-12-29(7)20(9-10-23(31)30(29,8)32)26(21,4)16-18-28(27,6)22(25)19-24/h20-22,32H,9-19H2,1-8H3/t20-,21-,22+,25+,26-,27+,28-,29-,30+/m0/s1
InChIKey: InChIKey=VDDQBWVPLYWMBF-VAKVGTBTSA-N
Formula: C30H50O2
Molecular Weight: 442.717924
Exact Mass: 442.381081
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Moiteiro, C., Manta, C., Justino, F., Tavares, R., Curto, M.J., Pedro, M., Nascimento, M.S., Pinto, M. J Nat Prod (2004) 67, 1193-6
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Friedelanes; 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) | 29.7 |
| 2 (CH2) | 39.3 |
| 3 (C) | 213.1 |
| 4 (C) | 81 |
| 5 (C) | 44.6 |
| 6 (CH2) | 37.1 |
| 7 (CH2) | 21.7 |
| 8 (CH) | 49.3 |
| 9 (C) | 37.1 |
| 10 (CH) | 52.4 |
| 11 (CH2) | 35.3 |
| 12 (CH2) | 30.5 |
| 13 (C) | 39.7 |
| 14 (C) | 38.2 |
| 15 (CH2) | 32.4 |
| 16 (CH2) | 35.8 |
| 17 (C) | 29.9 |
| 18 (CH) | 42.8 |
| 19 (CH2) | 33.4 |
| 20 (C) | 28.2 |
| 21 (CH2) | 32.8 |
| 22 (CH2) | 36 |
| 23 (CH3) | 16.7 |
| 24 (CH3) | 16.9 |
| 25 (CH3) | 18 |
| 26 (CH3) | 20.3 |
| 27 (CH3) | 18.8 |
| 28 (CH3) | 32.1 |
| 29 (CH3) | 31.8 |
| 30 (CH3) | 35.1 |
