Spektraris NMR
3b,18-Cyclo-16αH-ent-atisane-14,15-dione
Common Name: 3b,18-Cyclo-16αH-ent-atisane-14,15-dione
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H28O2/c1-11-12-8-15-18(2)6-4-13-10-19(13,3)14(18)5-7-20(15,17(11)22)16(21)9-12/h11-15H,4-10H2,1-3H3/t11-,12-,13-,14+,15+,18-,19+,20+/m1/s1
InChIKey: InChIKey=RIVFETNCNMFGFG-BRWYAXAJSA-N
Formula: C20H28O2
Molecular Weight: 300.435869
Exact Mass: 300.20893
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 : Cyclo-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) | 33.1 |
| 2 (CH2) | 21.6 |
| 3 (CH) | 19.22 |
| 4 (C) | 15.84 |
| 5 (CH) | 50.39 |
| 6 (CH2) | 18.81 |
| 7 (CH2) | 22.65 |
| 8 (C) | 66.06 |
| 9 (CH) | 46.24 |
| 10 (C) | 37.9 |
| 11 (CH2) | 22.68 |
| 12 (CH) | 32.17 |
| 13 (CH2) | 46.03 |
| 14 (C) | 210.35 |
| 15 (C) | 209.42 |
| 16 (CH) | 46.14 |
| 17 (CH3) | 14.85 |
| 18 (CH2) | 21.34 |
| 19 (CH3) | 23.67 |
| 20 (CH3) | 11.54 |
