Spektraris NMR
ent-2-Acetyl-norbeyer-1,4,15-trien-3-one
Common Name: ent-2-Acetyl-norbeyer-1,4,15-trien-3-one
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H26O3/c1-13-15-5-8-21-10-9-19(3,12-21)7-6-17(21)20(15,4)11-16(18(13)23)24-14(2)22/h9-11,17H,5-8,12H2,1-4H3/t17-,19+,20+,21-/m0/s1
InChIKey: InChIKey=XIJVQMJIJGKTRY-KCLUMXDGSA-N
Formula: C21H26O3
Molecular Weight: 326.430128
Exact Mass: 326.188195
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Munkombwe, N.M., Maswabi, T., Hughes, N.A. Phytochemistry (1997) 45, 1217-20
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Beyeranes; 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) | 140.8 |
| 2 (C) | 143.4 |
| 3 (C) | 179 |
| 4 (C) | 128.3 |
| 5 (C) | 162.9 |
| 6 (CH2) | 26.1 |
| 7 (CH2) | 37 |
| 8 (C) | 49.1 |
| 9 (CH) | 49 |
| 10 (C) | 44.3 |
| 11 (CH2) | 20.8 |
| 12 (CH2) | 32.1 |
| 13 (C) | 44.5 |
| 14 (CH2) | 59.5 |
| 15 (CH) | 138.5 |
| 16 (CH) | 133.1 |
| 17 (CH3) | 24.6 |
| 18 (CH3) | 10.8 |
| 20 (CH3) | 22.5 |
| 2a (C) | 169 |
| 2b (CH3) | 20.6 |
