Spektraris NMR
(1R,2R,5S)-6,6-Dimethyl-4',6',7',8'-tetrahydrospiro[bicyclo[3.1.1]heptane-2,2'-chromen]-5'(3'H)-one
![(1R,2R,5S)-6,6-Dimethyl-4',6',7',8'-tetrahydrospiro[bicyclo[3.1.1]heptane-2,2'-chromen]-5'(3'H)-one](/nmr/static/nmr/svg/18974.svg)
Common Name: (1R,2R,5S)-6,6-Dimethyl-4',6',7',8'-tetrahydrospiro[bicyclo[3.1.1]heptane-2,2'-chromen]-5'(3'H)-one
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C17H24O2/c1-16(2)11-6-8-17(15(16)10-11)9-7-12-13(18)4-3-5-14(12)19-17/h11,15H,3-10H2,1-2H3/t11-,15+,17-/m1/s1
InChIKey: InChIKey=GZMUPBPHRJFDJO-XQAQDONZSA-N
Formula: C17H24O2
Molecular Weight: 260.371898
Exact Mass: 260.17763
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Krause, M., Hoffmann, H.M.R. Tetrahedron Lett (1990) 31, 6629-32
Species:
Notes: Family : Terpenoids, Type : Meromonoterpenoids, Group : Pinanes; 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 (CH) | 49.68 |
| 2 (C) | 84.07 |
| 3 (CH2) | 28.8 |
| 4 (CH2) | 24.93 |
| 5 (CH) | 40.77 |
| 6 (C) | 38.24 |
| 7 (CH2) | 26.43 |
| 8 (CH3) | 27.63 |
| 9 (CH3) | 23.25 |
| 10 (CH2) | 15.39 |
| 1' (C) | 110.77 |
| 2' (C) | 170.71 |
| 3' (CH2) | 29.32 |
| 4' (CH2) | 21.05 |
| 5' (CH2) | 36.76 |
| 6' (C) | 197.91 |
| 7' (CH2) | 32.52 |
