Spektraris NMR
6b-Angeloyloxy-8b,10b-dihydroxy-3-oxoeremophilenolide
Common Name: 6b-Angeloyloxy-8b,10b-dihydroxy-3-oxoeremophilenolide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H26O7/c1-6-10(2)16(22)26-15-14-11(3)17(23)27-20(14,25)9-19(24)8-7-13(21)12(4)18(15,19)5/h6,12,15,24-25H,7-9H2,1-5H3/b10-6-/t12-,15+,18-,19-,20-/m0/s1
InChIKey: InChIKey=STDXFCZFEQFNFN-JZJIOQEASA-N
Formula: C20H26O7
Molecular Weight: 378.417012
Exact Mass: 378.167853
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Mao, M., Yang, Z., Jia, Z. Planta Med (2003) 69, 745-9
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Eremophilanes; 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 (CH2) | 34.2 |
| 2 (CH2) | 37.4 |
| 3 (C) | 208.8 |
| 4 (CH) | 46.9 |
| 5 (C) | 49.5 |
| 6 (CH) | 70.6 |
| 7 (C) | 150.6 |
| 8 (C) | 103.1 |
| 9 (CH2) | 43.1 |
| 10 (C) | 73.2 |
| 11 (C) | 129.6 |
| 12 (C) | 171 |
| 13 (CH3) | 8.5 |
| 14 (CH3) | 11.9 |
| 15 (CH3) | 12.9 |
| 6a (C) | 166.4 |
| 6b (C) | 126.4 |
| 6c (CH) | 141.7 |
| 6d (CH3) | 15.8 |
| 6ba (CH3) | 20.5 |
