Spektraris NMR
(1R,9S)-1,10,10-Trimethylbicyclo[7.4.0]tridecane-3,6-dione
![(1R,9S)-1,10,10-Trimethylbicyclo[7.4.0]tridecane-3,6-dione](/nmr/static/nmr/svg/15912.svg)
Common Name: (1R,9S)-1,10,10-Trimethylbicyclo[7.4.0]tridecane-3,6-dione
Synonyms: (1R,9S)-1,10,10-Trimethylbicyclo[7.4.0]tridecane-3,6-dione
CAS Registry Number:
InChI: InChI=1S/C16H26O2/c1-15(2)9-4-10-16(3)11-13(18)6-5-12(17)7-8-14(15)16/h14H,4-11H2,1-3H3/t14-,16+/m0/s1
InChIKey: InChIKey=JCABOSNDEYWKMH-GOEBONIOSA-N
Formula: C16H26O2
Molecular Weight: 250.377044
Exact Mass: 250.19328
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Akiyama, K., Kikuzaki, H., Aoki, T., Okuda, A., Lajis, N.H., Nakatani, N. J Nat Prod (2006) 69, 1637-40
Species:
Notes: Family : Terpenoids, Type : Miscellanea, 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 (C) | 41.1 |
| 2 (CH2) | 54.3 |
| 3 (C) | 212 |
| 4 (CH2) | 43.3 |
| 5 (CH2) | 36.4 |
| 6 (C) | 213 |
| 7 (CH2) | 47.5 |
| 8 (CH2) | 21.9 |
| 9 (CH) | 51.5 |
| 10 (C) | 35.5 |
| 11 (CH2) | 41.6 |
| 12 (CH2) | 18.4 |
| 13 (CH2) | 39.9 |
| 14 (CH3) | 33.4 |
| 15 (CH3) | 21.7 |
| 16 (CH3) | 21.3 |
