Spektraris NMR
13(S)-Hydroxy-atis-15-ene-3,14-dione
Common Name: 13(S)-Hydroxy-atis-15-ene-3,14-dione
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H28O3/c1-11-10-20-8-5-13-18(2,3)15(21)6-7-19(13,4)14(20)9-12(11)16(22)17(20)23/h10,12-14,16,22H,5-9H2,1-4H3/t12-,13+,14-,16+,19+,20-/m1/s1
InChIKey: InChIKey=RYXIWPYIATWCFI-OVNPJXQSSA-N
Formula: C20H28O3
Molecular Weight: 316.435274
Exact Mass: 316.203845
NMR Solvent: CDCl3
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) | 37.7 |
| 2 (CH2) | 34.21 |
| 3 (C) | 216.12 |
| 4 (C) | 47.54 |
| 5 (CH) | 55.23 |
| 6 (CH2) | 19.91 |
| 7 (CH2) | 28.71 |
| 8 (C) | 51.81 |
| 9 (CH) | 52.44 |
| 10 (C) | 37.02 |
| 11 (CH2) | 24.25 |
| 12 (CH) | 43.06 |
| 13 (CH) | 73.34 |
| 14 (C) | 213.5 |
| 15 (CH) | 125.74 |
| 16 (C) | 146.24 |
| 17 (CH3) | 26.13 |
| 18 (CH3) | 21.18 |
| 19 (CH3) | 21.29 |
| 20 (CH3) | 13.73 |
