Spektraris NMR
15a,22b-Dihydroxytingenone
Common Name: 15a,22b-Dihydroxytingenone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H36O5/c1-14-11-20-26(4,24(33)22(14)31)13-21(30)28(6)19-8-7-16-15(2)23(32)18(29)12-17(16)25(19,3)9-10-27(20,28)5/h7-8,12,14,20-21,24,30,32-33H,9-11,13H2,1-6H3/t14-,20-,21+,24-,25+,26-,27+,28+/m1/s1
InChIKey: InChIKey=ZUBJJQDAWBBCMZ-JSRDMORJSA-N
Formula: C28H36O5
Molecular Weight: 452.583497
Exact Mass: 452.256274
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Dias M.N., Fernando H.C., Gunatilaka A.A.L., Tezuka Y., Kikuchi T. J Chem Res (1990) 0, 1801
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) | 121 |
| 2 (C) | 179.2 |
| 3 (C) | 148.2 |
| 4 (C) | 118.1 |
| 5 (C) | 128.1 |
| 6 (CH) | 132.6 |
| 7 (CH) | 120.6 |
| 8 (C) | 163.9 |
| 9 (C) | 42.6 |
| 10 (C) | 164.2 |
| 11 (CH2) | 33.3 |
| 12 (CH2) | 31.4 |
| 13 (C) | 39.6 |
| 14 (C) | 48.9 |
| 15 (CH) | 72.3 |
| 16 (CH2) | 37.4 |
| 17 (C) | 44.3 |
| 18 (CH) | 45.6 |
| 19 (CH2) | 32.2 |
| 20 (CH) | 41.2 |
| 21 (C) | 214 |
| 22 (CH) | 78.8 |
| 23 (CH3) | 10.3 |
| 25 (CH3) | 41 |
| 26 (CH3) | 23.9 |
| 27 (CH3) | 24.4 |
| 28 (CH3) | 25.8 |
| 30 (CH3) | 15.2 |
