Spektraris NMR
8,8-Dimethyl-5-geranyl-1,7-bis(3-methylbut-2-enyl)bicyclo[3.3.1]nona-2,4,9-trione
![8,8-Dimethyl-5-geranyl-1,7-bis(3-methylbut-2-enyl)bicyclo[3.3.1]nona-2,4,9-trione](/nmr/static/nmr/svg/14748.svg)
Common Name: 8,8-Dimethyl-5-geranyl-1,7-bis(3-methylbut-2-enyl)bicyclo[3.3.1]nona-2,4,9-trione
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C31H46O3/c1-21(2)11-10-12-24(7)16-17-30-20-25(14-13-22(3)4)29(8,9)31(28(30)34,18-15-23(5)6)27(33)19-26(30)32/h11,13,15-16,25H,10,12,14,17-20H2,1-9H3/b24-16-/t25-,30-,31+/m0/s1
InChIKey: InChIKey=USDVESWQKXFDCY-MPYPCQNKSA-N
Formula: C31H46O3
Molecular Weight: 466.696302
Exact Mass: 466.344695
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Taher, M., Idris, M.S., Ahmad, F., Arbain, D. Phytochemistry (2005) 66, 723-6
Species:
Notes: Family : Aromatics, Type : Phloroglucinols; 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) | 70.2 |
| 2 (C) | 202.7 |
| 3 (CH2) | 62.8 |
| 4 (C) | 202.7 |
| 5 (C) | 64.7 |
| 6 (C) | 210.3 |
| 1' (CH2) | 26.6 |
| 2' (CH) | 118 |
| 3' (C) | 133.5 |
| 4' (CH3) | 25.6 |
| 5' (CH3) | 17.6 |
| 1'' (CH2) | 40.6 |
| 2'' (CH) | 46.4 |
| 3'' (C) | 51.2 |
| 4'' (CH3) | 26 |
| 5'' (CH3) | 22.9 |
| 1''' (CH2) | 31.1 |
| 2''' (CH) | 117.4 |
| 3''' (C) | 139.1 |
| 4''' (CH2) | 39.9 |
| 5''' (CH2) | 27.1 |
| 6''' (CH) | 124.1 |
| 7''' (C) | 131.4 |
| 8''' (CH3) | 25.7 |
| 9''' (CH3) | 17.8 |
| 1''''' (CH2) | 29.2 |
| 2''''' (CH) | 122.6 |
| 3''''' (C) | 136.3 |
| 4''''' (CH3) | 16.2 |
| 5''''' (CH3) | 26.3 |
| 3'''a (CH3) | 17.8 |
