Spektraris NMR
8(9)a-epoxydeoxyhypoestenone
Common Name: 8(9)a-epoxydeoxyhypoestenone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H30O2/c1-11(2)13-6-7-19(4)10-14-12(3)17(21)8-16(14)20(5)18(22-20)9-15(13)19/h11,13,15-16,18H,6-10H2,1-5H3/t13-,15+,16+,18+,19-,20-/m0/s1
InChIKey: InChIKey=PJVPKENFEBFJQZ-RQUPLULRSA-N
Formula: C20H30O2
Molecular Weight: 302.45175
Exact Mass: 302.22458
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Muhammad, I., Mossa, J.S., Ramadan, A.F., El-Feraly, F.S., Hufford, C.D. Phytochemistry (1998) 47, 1331-6
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) | 43.9 |
| 2 (CH2) | 43.2 |
| 3 (C) | 171.2 |
| 4 (C) | 139.8 |
| 5 (C) | 208.9 |
| 6 (CH2) | 36.4 |
| 7 (CH) | 45.1 |
| 8 (C) | 60.2 |
| 9 (CH) | 65.3 |
| 10 (CH2) | 25.5 |
| 11 (CH) | 50.5 |
| 12 (CH) | 47.7 |
| 13 (CH2) | 23.2 |
| 14 (CH2) | 43.9 |
| 15 (CH3) | 18.7 |
| 16 (CH3) | 8.8 |
| 17 (CH3) | 17 |
| 18 (CH) | 28.9 |
| 19 (CH3) | 19.4 |
| 20 (CH3) | 25.3 |
