Spektraris NMR
15b-Hydroxy-16aH-ent-atisan-14-one
Common Name: 15b-Hydroxy-16aH-ent-atisan-14-one
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H32O2/c1-12-13-10-15-19(4)8-5-7-18(2,3)14(19)6-9-20(15,17(12)22)16(21)11-13/h12-15,17,22H,5-11H2,1-4H3/t12-,13-,14-,15+,17+,19-,20+/m1/s1
InChIKey: InChIKey=JQMFDOWCPQHDPA-JHKFSBEESA-N
Formula: C20H32O2
Molecular Weight: 304.467632
Exact Mass: 304.24023
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) | 38.87 |
| 2 (CH2) | 18.82 |
| 3 (CH2) | 41.92 |
| 4 (C) | 32.93 |
| 5 (CH) | 55.42 |
| 6 (CH2) | 21.24 |
| 7 (CH2) | 28.71 |
| 8 (C) | 52.73 |
| 9 (CH) | 49.23 |
| 10 (C) | 37.93 |
| 11 (CH2) | 18.23 |
| 12 (CH) | 32.88 |
| 13 (CH2) | 45.5 |
| 14 (C) | 215.78 |
| 15 (CH) | 85.68 |
| 16 (CH) | 41.45 |
| 17 (CH3) | 19.24 |
| 18 (CH3) | 33.49 |
| 19 (CH3) | 21.71 |
| 20 (CH3) | 13.6 |
