Spektraris NMR
Deoxyhypoestenone
Common Name: Deoxyhypoestenone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H30O/c1-12(2)15-8-9-20(5)11-17-14(4)19(21)10-16(17)13(3)6-7-18(15)20/h6,12,15-16,18H,7-11H2,1-5H3/b13-6-/t15-,16-,18+,20-/m0/s1
InChIKey: InChIKey=INDQHMQHKNSFDS-DYWYNRKGSA-N
Formula: C20H30O1
Molecular Weight: 286.452345
Exact Mass: 286.229666
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) | 44.3 |
| 2 (CH2) | 41.7 |
| 3 (C) | 175.7 |
| 4 (C) | 137.3 |
| 5 (C) | 209.9 |
| 6 (CH2) | 37.1 |
| 7 (CH) | 42.8 |
| 8 (C) | 137.8 |
| 9 (CH) | 129.7 |
| 10 (CH2) | 24 |
| 11 (CH) | 55.6 |
| 12 (CH) | 47.7 |
| 13 (CH2) | 23.1 |
| 14 (CH2) | 43.3 |
| 15 (CH3) | 18.9 |
| 16 (CH3) | 8.6 |
| 17 (CH3) | 18.5 |
| 18 (CH) | 28.8 |
| 19 (CH3) | 19.8 |
| 20 (CH3) | 23.8 |
