Spektraris NMR
Friedelan-3,6,21-trione
Common Name: Friedelan-3,6,21-trione
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H46O3/c1-18-19(31)9-10-20-27(5)12-14-29(7)22-16-25(2,3)24(33)17-26(22,4)11-13-28(29,6)21(27)15-23(32)30(18,20)8/h18,20-22H,9-17H2,1-8H3/t18-,20-,21-,22+,26-,27-,28+,29-,30+/m0/s1
InChIKey: InChIKey=MLNJMIGPWMDVKK-VXLZOKDHSA-N
Formula: C30H46O3
Molecular Weight: 454.685566
Exact Mass: 454.344695
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) | 35.5 |
| 2 (CH2) | 41.5 |
| 3 (C) | 212.2 |
| 4 (CH) | 51.4 |
| 5 (C) | 56.5 |
| 6 (C) | 213.6 |
| 7 (CH2) | 32.2 |
| 8 (CH) | 55.5 |
| 9 (C) | 38.3 |
| 10 (CH) | 60.7 |
| 11 (CH2) | 36 |
| 12 (CH2) | 30.9 |
| 13 (C) | 39.1 |
| 14 (C) | 40.5 |
| 15 (CH2) | 30.3 |
| 16 (CH2) | 37 |
| 17 (C) | 33.1 |
| 18 (CH) | 42.2 |
| 19 (CH2) | 34.2 |
| 20 (C) | 42.6 |
| 21 (C) | 218.2 |
| 22 (CH2) | 54.8 |
| 23 (CH3) | 9.6 |
| 24 (CH3) | 13.4 |
| 25 (CH3) | 17.8 |
| 26 (CH3) | 18.4 |
| 27 (CH3) | 21.1 |
| 28 (CH3) | 33.5 |
| 29 (CH3) | 24.9 |
| 30 (CH3) | 28.7 |
