Spektraris NMR
ent-2,6a-diacetyl-norbeyer-1,4,15-trien-3-one
Common Name: ent-2,6a-diacetyl-norbeyer-1,4,15-trien-3-one
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C23H28O5/c1-13-19-16(27-14(2)24)11-23-9-8-21(4,12-23)7-6-18(23)22(19,5)10-17(20(13)26)28-15(3)25/h8-10,16,18H,6-7,11-12H2,1-5H3/t16-,18+,21-,22+,23-/m1/s1
InChIKey: InChIKey=HAAGHSYVESSCST-NHYSTBNRSA-N
Formula: C23H28O5
Molecular Weight: 384.466291
Exact Mass: 384.193674
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) | 140.5 |
| 2 (C) | 142.9 |
| 3 (C) | 179.4 |
| 4 (C) | 128.1 |
| 5 (C) | 158.1 |
| 6 (CH) | 70.7 |
| 7 (CH2) | 49.6 |
| 8 (C) | 49.6 |
| 9 (CH) | 50.5 |
| 10 (C) | 45.5 |
| 11 (CH2) | 22.3 |
| 12 (CH2) | 32.2 |
| 13 (C) | 44.7 |
| 14 (CH2) | 60.3 |
| 15 (CH) | 138.2 |
| 16 (CH) | 135.5 |
| 17 (CH3) | 24.5 |
| 18 (CH3) | 11.1 |
| 20 (CH3) | 22.4 |
| 2a (C) | 169 |
| 2b (CH3) | 20.6 |
| 6a (C) | 169 |
| 6b (CH3) | 20.6 |
