Spektraris NMR
ent-Atis-15-en-14-one
Common Name: ent-Atis-15-en-14-one
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H30O/c1-13-12-20-9-6-15-18(2,3)7-5-8-19(15,4)16(20)10-14(13)11-17(20)21/h12,14-16H,5-11H2,1-4H3/t14-,15-,16+,19-,20+/m1/s1
InChIKey: InChIKey=AJGGXAQHDZCKEP-WVPQZDDBSA-N
Formula: C20H30O1
Molecular Weight: 286.452345
Exact Mass: 286.229666
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Abad, A., Agullo, C., Cunat, A.C., Marzal, I.D., Navarto, I., Gris, A. Tetrahedron (2006) 62, 3266-83
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) | 39.64 |
| 2 (CH2) | 18.35 |
| 3 (CH2) | 42.04 |
| 4 (C) | 32.99 |
| 5 (CH) | 55.79 |
| 6 (CH2) | 19.05 |
| 7 (CH2) | 26.83 |
| 8 (C) | 66.55 |
| 9 (CH) | 55.07 |
| 10 (C) | 37.54 |
| 11 (CH2) | 29.98 |
| 12 (CH) | 37.14 |
| 13 (CH2) | 41.77 |
| 14 (C) | 214.57 |
| 15 (CH) | 128.91 |
| 16 (C) | 146.15 |
| 17 (CH3) | 20.02 |
| 18 (CH3) | 33.57 |
| 19 (CH3) | 21.67 |
| 20 (CH3) | 13.11 |
