Spektraris NMR
Hypoestenone
Common Name: Hypoestenone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H28O2/c1-11(2)14-9-19(22)20(5)10-16-13(4)18(21)8-15(16)12(3)6-7-17(14)20/h6,11,14-15,17H,7-10H2,1-5H3/b12-6-/t14-,15-,17+,20-/m0/s1
InChIKey: InChIKey=RQBPREVSQRPKAH-ZUBMDPDWSA-N
Formula: C20H28O2
Molecular Weight: 300.435869
Exact Mass: 300.20893
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Muhammad, I., Mossa, J.S., AlYahya, M.A., ElFeraly, F.S., McPhail, A.T. Phytochemistry (1997) 44, 125-9
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Fusicoccanes; 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 (C) | 49.8 |
| 2 (CH2) | 36.2 |
| 3 (C) | 172.5 |
| 4 (C) | 139 |
| 5 (C) | 209.1 |
| 6 (CH2) | 37.1 |
| 7 (CH) | 42.7 |
| 8 (C) | 134.9 |
| 9 (CH) | 128.2 |
| 10 (CH2) | 26.1 |
| 11 (CH) | 55.3 |
| 12 (CH) | 44.4 |
| 13 (CH2) | 41.9 |
| 14 (C) | 220.1 |
| 15 (CH3) | 16.6 |
| 16 (CH3) | 8.7 |
| 17 (CH3) | 18.4 |
| 18 (CH) | 30.4 |
| 19 (CH3) | 23.3 |
| 20 (CH3) | 24 |
