Spektraris NMR
1b-Acetoxy-17-hydroxybeyer-15-en-12-one
Common Name: 1b-Acetoxy-17-hydroxybeyer-15-en-12-one
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H32O4/c1-14(24)26-18-6-7-19(2,3)15-5-8-21-9-10-22(12-21,13-23)17(25)11-16(21)20(15,18)4/h9-10,15-16,18,23H,5-8,11-13H2,1-4H3/t15-,16+,18+,20-,21+,22-/m1/s1
InChIKey: InChIKey=XDJHUKKOUJDXCH-GFRYGSFXSA-N
Formula: C22H32O4
Molecular Weight: 360.487914
Exact Mass: 360.23006
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Garcia-Granados, A., Guerrero, A., Martinez, A., Parra, A., Arias, J.M. Phytochemistry (1994) 36, 657-63
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 (CH) | 81.6 |
| 2 (CH2) | 24.1 |
| 3 (CH2) | 39.2 |
| 4 (C) | 32.9 |
| 5 (CH) | 54.5 |
| 6 (CH2) | 19.8 |
| 7 (CH2) | 36.4 |
| 8 (C) | 49.3 |
| 9 (CH) | 54.3 |
| 10 (C) | 41.8 |
| 11 (CH2) | 39.1 |
| 12 (C) | 213.2 |
| 13 (C) | 62.5 |
| 14 (CH2) | 52.1 |
| 15 (CH) | 140.6 |
| 16 (CH) | 132 |
| 17 (CH2) | 64 |
| 18 (CH3) | 32.9 |
| 19 (CH3) | 21.3 |
| 20 (CH3) | 11.1 |
| 1a (C) | 170.5 |
| 1b (CH3) | 22 |
