Spektraris NMR
Friedlan-3,6-dione
Common Name: Friedlan-3,6-dione
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H48O2/c1-19-20(31)9-10-21-27(5)14-16-29(7)23-18-25(2,3)11-12-26(23,4)13-15-28(29,6)22(27)17-24(32)30(19,21)8/h19,21-23H,9-18H2,1-8H3/t19-,21-,22-,23+,26+,27-,28+,29-,30+/m0/s1
InChIKey: InChIKey=KWMGDIGXRGUGAP-RYASJYPDSA-N
Formula: C30H48O2
Molecular Weight: 440.702043
Exact Mass: 440.365431
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Patra A., Mukhopadhyay A.K., Mitra A.K. Org Magn Reson (1981) 17, 166
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) | 35.1 |
| 2 (CH2) | 41.6 |
| 3 (C) | 212.9 |
| 4 (CH) | 51.5 |
| 5 (C) | 56.6 |
| 6 (C) | 214.4 |
| 7 (CH2) | 32.7 |
| 8 (CH) | 55.5 |
| 9 (C) | 38.4 |
| 10 (CH) | 60.9 |
| 11 (CH2) | 36.1 |
| 12 (CH2) | 32.1 |
| 13 (C) | 39.2 |
| 14 (C) | 40.2 |
| 15 (CH2) | 30.3 |
| 16 (CH2) | 35.5 |
| 17 (C) | 30 |
| 18 (CH) | 43 |
| 19 (CH2) | 35.7 |
| 20 (C) | 28.2 |
| 21 (CH2) | 35.7 |
| 22 (CH2) | 39.2 |
| 23 (CH3) | 9.6 |
| 24 (CH3) | 13.4 |
| 25 (CH3) | 18 |
| 26 (CH3) | 18.6 |
| 27 (CH3) | 21.1 |
| 28 (CH3) | 32 |
| 29 (CH3) | 20 |
| 30 (CH3) | 31.7 |
