Spektraris NMR
3-Oxo-12a-hydroxyfriedelane
Common Name: 3-Oxo-12a-hydroxyfriedelane
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H50O2/c1-19-20(31)9-10-21-27(19,5)12-11-22-28(21,6)18-24(32)30(8)23-17-25(2,3)13-14-26(23,4)15-16-29(22,30)7/h19,21-24,32H,9-18H2,1-8H3/t19-,21+,22-,23+,24-,26+,27+,28-,29+,30+/m0/s1
InChIKey: InChIKey=XZRDCSZHJNNFFD-DQECBKGMSA-N
Formula: C30H50O2
Molecular Weight: 442.717924
Exact Mass: 442.381081
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Oliveira, M.L., Duarte, L.P., Silva, G.D., Filho, S.A., Knupp, V.F., Alves, F.G. Magn Reson Chem (2007) 45, 895-8
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) | 22.3 |
| 2 (CH2) | 41.4 |
| 3 (C) | 212.7 |
| 4 (CH) | 58.1 |
| 5 (C) | 41.9 |
| 6 (CH2) | 41.2 |
| 7 (CH2) | 18.1 |
| 8 (CH) | 52.9 |
| 9 (C) | 38.2 |
| 10 (CH) | 59.4 |
| 11 (CH2) | 47.4 |
| 12 (CH) | 72.7 |
| 13 (C) | 45.3 |
| 14 (C) | 40.4 |
| 15 (CH2) | 33.4 |
| 16 (CH2) | 36.1 |
| 17 (C) | 30.8 |
| 18 (CH) | 44.2 |
| 19 (CH2) | 38.4 |
| 20 (C) | 28.4 |
| 21 (CH2) | 32.7 |
| 22 (CH2) | 39.6 |
| 23 (CH3) | 6.8 |
| 24 (CH3) | 14.6 |
| 25 (CH3) | 19.3 |
| 26 (CH3) | 20.5 |
| 27 (CH3) | 11.6 |
| 28 (CH3) | 31.8 |
| 29 (CH3) | 34.9 |
| 30 (CH3) | 31.9 |
