Spektraris NMR
8α-O-(2′,3′-Dihydroxyisobutyryl)11β,13-dihydrodesacylcynaropicrin
Common Name: 8α-O-(2′,3′-Dihydroxyisobutyryl)11β,13-dihydrodesacylcynaropicrin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C19H26O7/c1-8-5-13(25-18(23)19(4,24)7-20)15-10(3)17(22)26-16(15)14-9(2)12(21)6-11(8)14/h10-16,20-21,24H,1-2,5-7H2,3-4H3/t10-,11-,12-,13-,14-,15+,16+,19?/m0/s1
InChIKey: InChIKey=XXTSIUYSUUNNEI-GCXOURRPSA-N
Formula: C19H26O7
Molecular Weight: 366.406276
Exact Mass: 366.167853
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Yang, M.C., Choi, S.U., Choi, W.S., Kim, S.Y., Lee, K.R. J Nat Prod (2008) 71, 678-83
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Guaianes; 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) | 45.2 |
| 2 (CH2) | 39.7 |
| 3 (CH) | 73.9 |
| 4 (C) | 154.4 |
| 5 (CH) | 51.5 |
| 6 (CH) | 80.7 |
| 7 (CH) | 53.5 |
| 8 (CH) | 78.4 |
| 9 (CH2) | 40.3 |
| 10 (C) | 144.4 |
| 11 (CH) | 42.3 |
| 12 (C) | 180.7 |
| 13 (CH3) | 15.9 |
| 14 (CH2) | 117.2 |
| 15 (CH2) | 111.4 |
| 8a (C) | 175.6 |
| 8b (C) | 76.9 |
| 8c (CH2) | 69.3 |
| 8ba (CH3) | 22.3 |
