Spektraris NMR
8(9)a-epoxyhypoestenone
Common Name: 8(9)a-epoxyhypoestenone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H28O3/c1-10(2)12-6-17(22)19(4)9-13-11(3)16(21)7-15(13)20(5)18(23-20)8-14(12)19/h10,12,14-15,18H,6-9H2,1-5H3/t12-,14+,15+,18+,19-,20-/m0/s1
InChIKey: InChIKey=HBAXQDCUBUUJCH-DMYWNUKNSA-N
Formula: C20H28O3
Molecular Weight: 316.435274
Exact Mass: 316.203845
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) | 48.9 |
| 2 (CH2) | 37.6 |
| 3 (C) | 167.7 |
| 4 (C) | 141.2 |
| 5 (C) | 207.7 |
| 6 (CH2) | 36 |
| 7 (CH) | 44.5 |
| 8 (C) | 59.6 |
| 9 (CH) | 63.9 |
| 10 (CH2) | 27.4 |
| 11 (CH) | 49.8 |
| 12 (CH) | 44 |
| 13 (CH2) | 42.1 |
| 14 (C) | 219.6 |
| 15 (CH3) | 16.4 |
| 16 (CH3) | 8.4 |
| 17 (CH3) | 16.5 |
| 18 (CH) | 30.4 |
| 19 (CH3) | 23.1 |
| 20 (CH3) | 23.7 |
