Spektraris NMR
2(R)-2-Hydroxy-atis-16-ene-3,14-dione
Common Name: 2(R)-2-Hydroxy-atis-16-ene-3,14-dione
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H28O3/c1-11-9-20-6-5-14-18(2,3)17(23)13(21)10-19(14,4)15(20)7-12(11)8-16(20)22/h12-15,21H,1,5-10H2,2-4H3/t12-,13+,14-,15+,19-,20+/m0/s1
InChIKey: InChIKey=GJQGCDWCUXZGMG-ZXZLUOCLSA-N
Formula: C20H28O3
Molecular Weight: 316.435274
Exact Mass: 316.203845
NMR Solvent: CD2Cl2
MHz:
Calibration:
NMR references: 13C - Abad, A., Agullo, C., Cunat, A.C., Marzal, I.D.A., Gris, A., Navarro, I., de Arellano, C.R. Tetrahedron (2007) 63, 1664-79
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Atisanes; 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 (CH2) | 47.18 |
| 2 (CH) | 68.87 |
| 3 (C) | 215.87 |
| 4 (C) | 47.47 |
| 5 (CH) | 56.92 |
| 6 (CH2) | 19.75 |
| 7 (CH2) | 31.04 |
| 8 (C) | 47.6 |
| 9 (CH) | 52.08 |
| 10 (C) | 38.21 |
| 11 (CH2) | 28 |
| 12 (CH) | 38.14 |
| 13 (CH2) | 44.52 |
| 14 (C) | 216.42 |
| 15 (CH2) | 42.55 |
| 16 (C) | 146.66 |
| 17 (CH2) | 107.42 |
| 18 (CH3) | 24.92 |
| 19 (CH3) | 21.7 |
| 20 (CH3) | 13.96 |
