Spektraris NMR
Cryptoquinone
Common Name: Cryptoquinone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H26O3/c1-11(2)12-9-14(22)17-16(18(12)23)13(21)10-15-19(3,4)7-6-8-20(15,17)5/h9,11,15H,6-8,10H2,1-5H3/t15-,20-/m0/s1
InChIKey: InChIKey=RHYFQBRFLJYSIH-YWZLYKJASA-N
Formula: C20H26O3
Molecular Weight: 314.419392
Exact Mass: 314.188195
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Kofujita H., Ota M., Takahashi K., Kawai Y., Hayashi Y. Phytochemistry (2002) 61, 895-8
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Abietanes; 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) | 35.7 |
| 2 (CH2) | 18.6 |
| 3 (CH2) | 40.8 |
| 4 (C) | 33.4 |
| 5 (CH) | 49.2 |
| 6 (CH2) | 36.8 |
| 7 (C) | 197.3 |
| 8 (C) | 132 |
| 9 (C) | 159.9 |
| 10 (C) | 40.1 |
| 11 (C) | 188.9 |
| 12 (CH) | 131.4 |
| 13 (C) | 154.3 |
| 14 (C) | 184.9 |
| 15 (CH) | 26.4 |
| 16 (CH3) | 21.4 |
| 17 (CH3) | 21.4 |
| 18 (CH3) | 32.8 |
| 19 (CH3) | 21.3 |
| 20 (CH3) | 18.1 |
