Spektraris NMR
2-Hydroxy-atis-1,16-diene-3,14-dione
Common Name: 2-Hydroxy-atis-1,16-diene-3,14-dione
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H26O3/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/h10,12,14-15,21H,1,5-9H2,2-4H3/t12-,14-,15+,19-,20+/m0/s1
InChIKey: InChIKey=YIIDYIDRVLGURG-RZHISPOFSA-N
Formula: C20H26O3
Molecular Weight: 314.419392
Exact Mass: 314.188195
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 (CH) | 124.89 |
| 2 (C) | 144.16 |
| 3 (C) | 200.67 |
| 4 (C) | 43.84 |
| 5 (CH) | 53.19 |
| 6 (CH2) | 19.13 |
| 7 (CH2) | 31.01 |
| 8 (C) | 47.98 |
| 9 (CH) | 48.82 |
| 10 (C) | 39.08 |
| 11 (CH2) | 28.04 |
| 12 (CH) | 38.07 |
| 13 (CH2) | 44.51 |
| 14 (C) | 216.35 |
| 15 (CH2) | 42.57 |
| 16 (C) | 146.5 |
| 17 (CH2) | 107.57 |
| 18 (CH3) | 26.89 |
| 19 (CH3) | 21.89 |
| 20 (CH3) | 17.17 |
