Spektraris NMR
Friedelan-3,22-dione
Common Name: Friedelan-3,22-dione
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H48O2/c1-19-20(31)9-10-21-26(19,4)12-11-22-27(21,5)13-15-30(8)23-17-25(2,3)18-24(32)28(23,6)14-16-29(22,30)7/h19,21-23H,9-18H2,1-8H3/t19-,21+,22-,23+,26+,27-,28+,29+,30-/m0/s1
InChIKey: InChIKey=KMSDQVZXCDIWDG-GQKXXQTOSA-N
Formula: C30H48O2
Molecular Weight: 440.702043
Exact Mass: 440.365431
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) | 22.3 |
| 2 (CH2) | 41.5 |
| 3 (C) | 212.6 |
| 4 (CH) | 58.3 |
| 5 (C) | 42.1 |
| 6 (CH2) | 41.3 |
| 7 (CH2) | 18.1 |
| 8 (CH) | 51.8 |
| 9 (C) | 37.6 |
| 10 (CH) | 59.7 |
| 11 (CH2) | 35.7 |
| 12 (CH2) | 30.2 |
| 13 (C) | 38.6 |
| 14 (C) | 39.7 |
| 15 (CH2) | 30.4 |
| 16 (CH2) | 27.1 |
| 17 (C) | 45 |
| 18 (CH) | 48.1 |
| 19 (CH2) | 34.8 |
| 20 (C) | 31.5 |
| 21 (CH2) | 49.5 |
| 22 (C) | 217.3 |
| 23 (CH3) | 6.8 |
| 24 (CH3) | 14.7 |
| 25 (CH3) | 18.1 |
| 26 (CH3) | 18.3 |
| 27 (CH3) | 18.5 |
| 28 (CH3) | 34 |
| 29 (CH3) | 31.1 |
| 30 (CH3) | 35.1 |
