Spektraris NMR
2,3,22beta-Trihydroxy-6,21-dioxo-24,29-dinorfriedela-1,3,5(10),7-tetrene-23-al
Common Name: 2,3,22beta-Trihydroxy-6,21-dioxo-24,29-dinorfriedela-1,3,5(10),7-tetrene-23-al
Synonyms: 2,3,22beta-Trihydroxy-6,21-dioxo-24,29-dinorfriedela-1,3,5(10),7-tetrene-23-al
CAS Registry Number:
InChI: InChI=1S/C28H34O6/c1-14-10-19-26(3,24(34)22(14)32)7-9-28(5)20-12-17(30)21-15(13-29)23(33)18(31)11-16(21)25(20,2)6-8-27(19,28)4/h11-14,19,24,31,33-34H,6-10H2,1-5H3/t14-,19-,24-,25+,26-,27+,28-/m1/s1
InChIKey: InChIKey=CUHUZAQQOIZHNA-QAWMOIFDSA-N
Formula: C28H34O6
Molecular Weight: 466.56702
Exact Mass: 466.235539
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) | 116.04 |
| 2 (C) | 149.26 |
| 3 (C) | 149.65 |
| 4 (C) | 116.88 |
| 5 (C) | 122.88 |
| 6 (C) | 185.81 |
| 7 (CH) | 125.19 |
| 8 (C) | 172.71 |
| 9 (C) | 40.43 |
| 10 (C) | 150.42 |
| 11 (CH2) | 34.02 |
| 12 (CH2) | 29.98 |
| 13 (C) | 40.17 |
| 14 (C) | 44.79 |
| 15 (CH2) | 28.23 |
| 16 (CH2) | 29.5 |
| 17 (C) | 44.37 |
| 18 (CH) | 44.94 |
| 19 (CH2) | 31.9 |
| 20 (CH) | 40.85 |
| 21 (C) | 213.43 |
| 22 (CH) | 77.2 |
| 23 (CH) | 200.2 |
| 25 (CH3) | 37.55 |
| 26 (CH3) | 20.52 |
| 27 (CH3) | 20.41 |
| 28 (CH3) | 25.05 |
| 30 (CH3) | 14.76 |
