Spektraris NMR
Friedelan-3,7-dione
Common Name: Friedelan-3,7-dione
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H48O2/c1-19-20(31)9-10-22-27(5)14-16-29(7)23-18-25(2,3)11-12-26(23,4)13-15-30(29,8)24(27)21(32)17-28(19,22)6/h19,22-24H,9-18H2,1-8H3/t19-,22-,23+,24-,26+,27-,28+,29-,30+/m0/s1
InChIKey: InChIKey=GPIWSGIAALYKPX-CITAGXGHSA-N
Formula: C30H48O2
Molecular Weight: 440.702043
Exact Mass: 440.365431
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Patra A. , Chaudhuri S. K. Magn Reson Chem (1987) 25, 95
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) | 21.6 |
| 2 (CH2) | 40.8 |
| 3 (C) | 210.6 |
| 4 (CH) | 57.8 |
| 5 (C) | 47 |
| 6 (CH2) | 56.9 |
| 7 (C) | 210.2 |
| 8 (CH) | 63.4 |
| 9 (C) | 42.4 |
| 10 (CH) | 59 |
| 11 (CH2) | 35.5 |
| 12 (CH2) | 29.8 |
| 13 (C) | 39.4 |
| 14 (C) | 37.5 |
| 15 (CH2) | 31.6 |
| 16 (CH2) | 36.3 |
| 17 (C) | 30.1 |
| 18 (CH) | 41.8 |
| 19 (CH2) | 34.9 |
| 20 (C) | 28 |
| 21 (CH2) | 32.8 |
| 22 (CH2) | 38.6 |
| 23 (CH3) | 6.8 |
| 24 (CH3) | 15.1 |
| 25 (CH3) | 18.2 |
| 26 (CH3) | 19.2 |
| 27 (CH3) | 19.4 |
| 28 (CH3) | 32.1 |
| 29 (CH3) | 31.8 |
| 30 (CH3) | 34.6 |
