Spektraris NMR
3-Oxo (-)-Manool
Common Name: 3-Oxo (-)-Manool
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H32O2/c1-7-19(5,22)12-10-15-14(2)8-9-16-18(3,4)17(21)11-13-20(15,16)6/h7,15-16,22H,1-2,8-13H2,3-6H3/t15-,16-,19-,20+/m1/s1
InChIKey: InChIKey=UKHWGTGHKJNXAC-SMOSDQRPSA-N
Formula: C20H32O2
Molecular Weight: 304.467632
Exact Mass: 304.24023
NMR Solvent:
MHz:
Calibration:
NMR references: 13C - Ansell, S.M., Pegel, K.H., Taylor, D.A.H. Phytochemistry (1993) 32, 945-52
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Labdanes; 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) | 37.6 |
| 2 (CH2) | 34.7 |
| 3 (C) | 216.8 |
| 4 (C) | 47.7 |
| 5 (CH) | 55.3 |
| 6 (CH2) | 25.1 |
| 7 (CH2) | 37.9 |
| 8 (C) | 147.3 |
| 9 (CH) | 56.2 |
| 10 (C) | 39.5 |
| 11 (CH2) | 18.2 |
| 12 (CH2) | 41.2 |
| 13 (C) | 73.4 |
| 14 (CH) | 145.1 |
| 15 (CH2) | 111.7 |
| 16 (CH3) | 28.2 |
| 17 (CH2) | 107.6 |
| 18 (CH3) | 26 |
| 19 (CH3) | 21.7 |
| 20 (CH3) | 14 |
