Spektraris NMR
(+)-3-Ketomanoyl oxide
Common Name: (+)-3-Ketomanoyl oxide
Synonyms: (+)-3-Ketomanoyl oxide
CAS Registry Number:
InChI: InChI=1S/C20H32O2/c1-7-18(4)11-8-15-19(5)12-10-16(21)17(2,3)14(19)9-13-20(15,6)22-18/h7,14-15H,1,8-13H2,2-6H3/t14-,15+,18-,19-,20+/m0/s1
InChIKey: InChIKey=JICALWDNUXLSSY-SBCNTATESA-N
Formula: C20H32O2
Molecular Weight: 304.467632
Exact Mass: 304.24023
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - David, J.P., David, J.M., Yang, S.W., Cordell, G.A. Phytochemistry (1999) 50, 443-7
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) | 37.8 |
| 2 (CH2) | 33.8 |
| 3 (C) | 217.3 |
| 4 (C) | 47.3 |
| 5 (CH) | 54.9 |
| 6 (CH2) | 20.8 |
| 7 (CH2) | 42.5 |
| 8 (C) | 74.4 |
| 9 (CH) | 54.9 |
| 10 (C) | 36.5 |
| 11 (CH2) | 15.5 |
| 12 (CH2) | 35.7 |
| 13 (C) | 74.3 |
| 14 (CH) | 147.9 |
| 15 (CH2) | 110.3 |
| 16 (CH3) | 28.5 |
| 17 (CH3) | 24.8 |
| 18 (CH3) | 20.8 |
| 19 (CH3) | 26.6 |
| 20 (CH3) | 15 |
