Spektraris NMR
3a-hydroxy-15-oxo-ent-(16S)-kaurane
Common Name: 3a-hydroxy-15-oxo-ent-(16S)-kaurane
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H32O2/c1-12-13-5-6-15-19(4)9-8-16(21)18(2,3)14(19)7-10-20(15,11-13)17(12)22/h12-16,21H,5-11H2,1-4H3/t12-,13-,14-,15+,16-,19-,20-/m1/s1
InChIKey: InChIKey=WVRUDMJRXJVJFM-FHHJTUJKSA-N
Formula: C20H32O2
Molecular Weight: 304.467632
Exact Mass: 304.24023
NMR Solvent:
MHz:
Calibration:
NMR references: 13C - Fraga, B.M., Hernandez, M.G., Guillermo, R. J Nat Prod (1996) 59, 952-7
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) | 37.7 |
| 2 (CH2) | 26.8 |
| 3 (CH) | 78.5 |
| 4 (C) | 38.7 |
| 5 (CH) | 54.1 |
| 6 (CH2) | 18.4 |
| 7 (CH2) | 37.2 |
| 8 (C) | 52.3 |
| 9 (CH) | 52.2 |
| 10 (C) | 39.2 |
| 11 (CH2) | 17.9 |
| 12 (CH2) | 24.6 |
| 13 (CH) | 34.8 |
| 14 (CH2) | 34 |
| 15 (C) | 225 |
| 16 (CH) | 47.7 |
| 17 (CH3) | 10 |
| 18 (CH3) | 28.1 |
| 19 (CH3) | 15.3 |
| 20 (CH3) | 17.5 |
