Spektraris NMR
Friedelan-7-one
Common Name: Friedelan-7-one
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H50O/c1-20-10-9-11-22-27(5)15-17-29(7)23-19-25(2,3)12-13-26(23,4)14-16-30(29,8)24(27)21(31)18-28(20,22)6/h20,22-24H,9-19H2,1-8H3/t20-,22-,23+,24-,26+,27-,28+,29-,30+/m0/s1
InChIKey: InChIKey=FCPANOBLGVXYMG-IIWBYEMSSA-N
Formula: C30H50O1
Molecular Weight: 426.71852
Exact Mass: 426.386166
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Gunatilaka A. A. L., Nanayakhara N. P. D., Wazzeer M. I. M. Phytochemistry (1983) 22, 991
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) | 21.1 |
| 2 (CH2) | 27 |
| 3 (CH2) | 30.2 |
| 4 (CH) | 46.3 |
| 5 (C) | 44.1 |
| 6 (CH2) | 58 |
| 7 (C) | 212.4 |
| 8 (CH) | 63.9 |
| 9 (C) | 43.5 |
| 10 (CH) | 60.6 |
| 11 (CH2) | 35.7 |
| 12 (CH2) | 32.2 |
| 13 (C) | 39.4 |
| 14 (C) | 37.6 |
| 15 (CH2) | 30.7 |
| 16 (CH2) | 36.2 |
| 17 (C) | 30.2 |
| 18 (CH) | 42 |
| 19 (CH2) | 35.1 |
| 20 (C) | 28.1 |
| 21 (CH2) | 33 |
| 22 (CH2) | 38.9 |
| 23 (CH3) | 13.8 |
| 24 (CH3) | 15.1 |
| 25 (CH3) | 19.6 |
| 26 (CH3) | 18.4 |
| 27 (CH3) | 19.6 |
| 28 (CH3) | 32.3 |
| 29 (CH3) | 31.7 |
| 30 (CH3) | 34.7 |
