Spektraris NMR
3,16,19-Trihydroxykauran-15-one
Common Name: 3,16,19-Trihydroxykauran-15-one
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H32O4/c1-17-8-7-15(22)18(2,11-21)13(17)6-9-20-10-12(4-5-14(17)20)19(3,24)16(20)23/h12-15,21-22,24H,4-11H2,1-3H3/t12-,13+,14+,15-,17-,18+,19+,20-/m1/s1
InChIKey: InChIKey=KNPYHRYGGLAVSW-OYYQXZGRSA-N
Formula: C20H32O4
Molecular Weight: 336.466442
Exact Mass: 336.23006
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Boaventura, M.A.D., Hanson, J.R., Hitchcock, P.B., Takahashi, J.A. Phytochemistry (1994) 37, 387-9
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Kauranes; 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) | 38.1 |
| 2 (CH2) | 28.2 |
| 3 (CH) | 79.8 |
| 4 (C) | 43.1 |
| 5 (CH) | 55.9 |
| 6 (CH2) | 19.3 |
| 7 (CH2) | 35.5 |
| 8 (C) | 52.2 |
| 9 (CH) | 52.7 |
| 10 (C) | 39.5 |
| 11 (CH2) | 18.6 |
| 12 (CH2) | 27.2 |
| 13 (CH) | 42.9 |
| 14 (CH2) | 34.2 |
| 15 (C) | 221.3 |
| 16 (C) | 76.7 |
| 17 (CH3) | 23.6 |
| 18 (CH3) | 18.5 |
| 19 (CH2) | 64.2 |
| 20 (CH3) | 18.1 |
