Spektraris NMR
2,3,22beta-Trihydroxy-23,24,29-trinorfriedela-1,3,5(10),7-tetrene-6,21-dione
Common Name: 2,3,22beta-Trihydroxy-23,24,29-trinorfriedela-1,3,5(10),7-tetrene-6,21-dione
Synonyms: 2,3,22beta-Trihydroxy-23,24,29-trinorfriedela-1,3,5(10),7-tetrene-6,21-dione
CAS Registry Number:
InChI: InChI=1S/C27H34O5/c1-14-10-20-25(3,23(32)22(14)31)7-9-27(5)21-13-17(28)15-11-18(29)19(30)12-16(15)24(21,2)6-8-26(20,27)4/h11-14,20,23,29-30,32H,6-10H2,1-5H3/t14-,20-,23-,24+,25-,26+,27-/m1/s1
InChIKey: InChIKey=OCWNGXKGKJVAHK-YPQNJJTASA-N
Formula: C27H34O5
Molecular Weight: 438.556879
Exact Mass: 438.240624
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) | 111.01 |
| 2 (C) | 149.97 |
| 3 (C) | 151.04 |
| 4 (CH) | 111.42 |
| 5 (C) | 123.1 |
| 6 (C) | 185.43 |
| 7 (CH) | 124.05 |
| 8 (C) | 169.17 |
| 9 (C) | 40.69 |
| 10 (C) | 150.44 |
| 11 (CH2) | 33.94 |
| 12 (CH2) | 29.97 |
| 13 (C) | 41.26 |
| 14 (C) | 45.04 |
| 15 (CH2) | 28.41 |
| 16 (CH2) | 29.67 |
| 17 (C) | 44.64 |
| 18 (CH) | 44.76 |
| 19 (CH2) | 31.92 |
| 20 (CH) | 40.85 |
| 21 (C) | 213.53 |
| 22 (CH) | 77.2 |
| 25 (CH3) | 37.8 |
| 26 (CH3) | 20.45 |
| 27 (CH3) | 20.37 |
| 28 (CH3) | 25.05 |
| 30 (CH3) | 14.83 |
