Spektraris NMR
2,3,22beta-Trihydroxy-24,29-dinorfriedela-1,3,5(10),7-tetrene-6,21-dione
Common Name: 2,3,22beta-Trihydroxy-24,29-dinorfriedela-1,3,5(10),7-tetrene-6,21-dione
Synonyms: 2,3,22beta-Trihydroxy-24,29-dinorfriedela-1,3,5(10),7-tetrene-6,21-dione
CAS Registry Number:
InChI: InChI=1S/C28H36O5/c1-14-11-19-26(4,24(33)22(14)31)8-10-28(6)20-13-17(29)21-15(2)23(32)18(30)12-16(21)25(20,3)7-9-27(19,28)5/h12-14,19,24,30,32-33H,7-11H2,1-6H3/t14-,19-,24-,25+,26-,27+,28-/m1/s1
InChIKey: InChIKey=MYYJAPOXRXNOJH-QAWMOIFDSA-N
Formula: C28H36O5
Molecular Weight: 452.583497
Exact Mass: 452.256274
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Chavez, H., Valdivia, E., Estevez-Braun, A., Ravelo, A.G. Tetrahedron (1998) 54, 13579-90
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Celastranes; 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 (CH) | 109.02 |
| 2 (C) | 149.25 |
| 3 (C) | 141 |
| 4 (C) | 122.84 |
| 5 (C) | 124.86 |
| 6 (C) | 187.8 |
| 7 (CH) | 126.13 |
| 8 (C) | 170.43 |
| 9 (C) | 39.57 |
| 10 (C) | 155.8 |
| 11 (CH2) | 34.44 |
| 12 (CH2) | 29.68 |
| 13 (C) | 40.29 |
| 14 (C) | 44.14 |
| 15 (CH2) | 28.43 |
| 16 (CH2) | 29.62 |
| 17 (C) | 44.85 |
| 18 (CH) | 44.85 |
| 19 (CH2) | 31.92 |
| 20 (CH) | 41.1 |
| 21 (C) | 213.7 |
| 22 (CH) | 77.1 |
| 23 (CH3) | 14.75 |
| 25 (CH3) | 38.86 |
| 26 (CH3) | 21.01 |
| 27 (CH3) | 20.57 |
| 28 (CH3) | 25.03 |
| 30 (CH3) | 14.75 |
