Spektraris NMR
1b,10b-Epoxy-6b-angeloyloxy-8b-methoxyeremophil-7(11)-en-8a,12-olide
Common Name: 1b,10b-Epoxy-6b-angeloyloxy-8b-methoxyeremophil-7(11)-en-8a,12-olide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H28O6/c1-7-11(2)17(22)25-16-15-13(4)18(23)27-21(15,24-6)10-20-14(26-20)9-8-12(3)19(16,20)5/h7,12,14,16H,8-10H2,1-6H3/b11-7-/t12-,14+,16+,19-,20+,21-/m0/s1
InChIKey: InChIKey=CBAPLTCHHBGQDY-NJJMGCRASA-N
Formula: C21H28O6
Molecular Weight: 376.444225
Exact Mass: 376.188589
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Zhang, Z.X., Lin, C.J., Li, P.L., Jia, Z.J. Planta Med (2007) 73, 585-90
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 (CH) | 62.6 |
| 2 (CH2) | 20.4 |
| 3 (CH2) | 23.9 |
| 4 (CH) | 32.7 |
| 5 (C) | 43.3 |
| 6 (CH) | 74 |
| 7 (C) | 153.5 |
| 8 (C) | 104 |
| 9 (CH2) | 43.3 |
| 10 (C) | 60.6 |
| 11 (C) | 126.5 |
| 12 (C) | 170.6 |
| 13 (CH3) | 8.2 |
| 14 (CH3) | 14.4 |
| 15 (CH3) | 16 |
| 6a (C) | 166.2 |
| 6b (C) | 135.3 |
| 6c (CH) | 127.5 |
| 6d (CH3) | 18.2 |
| 6ba (CH3) | 20.6 |
| 8a (CH3) | 50.5 |
