Spektraris NMR
2,3,22b-trihydroxy-24,29-dinor-1,3,5(10)-friedelatriene-6,21-dione
Common Name: 2,3,22b-trihydroxy-24,29-dinor-1,3,5(10)-friedelatriene-6,21-dione
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H38O5/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/h12,14,19-20,24,30,32-33H,7-11,13H2,1-6H3/t14-,19-,20?,24-,25+,26-,27+,28-/m1/s1
InChIKey: InChIKey=XIOMLVAPKXPLRW-KZAYTGTLSA-N
Formula: C28H38O5
Molecular Weight: 454.599378
Exact Mass: 454.271924
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) | 107.04 |
| 2 (C) | 148.1 |
| 3 (C) | 140.29 |
| 4 (C) | 126.81 |
| 5 (C) | 125.02 |
| 6 (C) | 200.67 |
| 7 (CH2) | 37.32 |
| 8 (CH) | 41.98 |
| 9 (C) | 37.05 |
| 10 (C) | 152.77 |
| 11 (CH2) | 33.25 |
| 12 (CH2) | 31.7 |
| 13 (C) | 39.93 |
| 14 (C) | 39.17 |
| 15 (CH2) | 27.73 |
| 16 (CH2) | 29.69 |
| 17 (C) | 44.93 |
| 18 (CH) | 45.36 |
| 19 (CH2) | 29.3 |
| 20 (CH) | 41.27 |
| 21 (C) | 213.91 |
| 22 (CH) | 77.15 |
| 23 (CH3) | 13.58 |
| 25 (CH3) | 26.4 |
| 26 (CH3) | 15.11 |
| 27 (CH3) | 18.89 |
| 28 (CH3) | 25.12 |
| 30 (CH3) | 14.84 |
