Spektraris NMR
ent-2,4-Seco-4-oxo-3,19-norbeyer-15-en-2-oic acid
Common Name: ent-2,4-Seco-4-oxo-3,19-norbeyer-15-en-2-oic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C18H26O3/c1-12(19)13-4-7-18-9-8-16(2,11-18)6-5-14(18)17(13,3)10-15(20)21/h8-9,13-14H,4-7,10-11H2,1-3H3,(H,20,21)/t13-,14+,16-,17-,18+/m1/s1
InChIKey: InChIKey=XHUGGGNADRQBIR-PEZLKRJXSA-N
Formula: C18H26O3
Molecular Weight: 290.397921
Exact Mass: 290.188195
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Munkombwe, N.M., Hughes, N.A., Duri, Z.J. Phytochemistry (1998) 47, 1653-5
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 (CH2) | 42.5 |
| 2 (C) | 174.4 |
| 4 (C) | 216.1 |
| 5 (CH) | 44.8 |
| 6 (CH2) | 23.1 |
| 7 (CH2) | 35.1 |
| 8 (C) | 48.7 |
| 9 (CH) | 57 |
| 10 (C) | 40.1 |
| 11 (CH2) | 20.4 |
| 12 (CH2) | 32.7 |
| 13 (C) | 43.8 |
| 14 (CH2) | 60.5 |
| 15 (CH) | 137.8 |
| 16 (CH) | 133.6 |
| 17 (CH3) | 24.7 |
| 18 (CH3) | 18 |
| 20 (CH3) | 30.6 |
