Spektraris NMR
3a,7a-Dihydroxy-15-oxo-ent-(16S)-kaurane
Common Name: 3a,7a-Dihydroxy-15-oxo-ent-(16S)-kaurane
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H32O3/c1-11-12-5-6-13-19(4)8-7-15(21)18(2,3)14(19)9-16(22)20(13,10-12)17(11)23/h11-16,21-22H,5-10H2,1-4H3/t11-,12-,13+,14-,15-,16-,19+,20-/m1/s1
InChIKey: InChIKey=OXHSQCQBISNMPE-YPDCMUIKSA-N
Formula: C20H32O3
Molecular Weight: 320.467037
Exact Mass: 320.235145
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) | 37.4 |
| 2 (CH2) | 26.9 |
| 3 (CH) | 78.5 |
| 4 (C) | 38.7 |
| 5 (CH) | 51.7 |
| 6 (CH2) | 28.3 |
| 7 (CH) | 71.6 |
| 8 (C) | 58.2 |
| 9 (CH) | 51.5 |
| 10 (C) | 38.9 |
| 11 (CH2) | 17.9 |
| 12 (CH2) | 25.1 |
| 13 (CH) | 34.3 |
| 14 (CH2) | 28.1 |
| 15 (C) | 224.2 |
| 16 (CH) | 48.3 |
| 17 (CH3) | 9.9 |
| 18 (CH3) | 28.2 |
| 19 (CH3) | 15.4 |
| 20 (CH3) | 17.8 |
