Spektraris NMR
12,13-Dihydroxychina-8,11,13-trien-7-one
Common Name: 12,13-Dihydroxychina-8,11,13-trien-7-one
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H28O3/c1-11(2)16-17-12(9-14(22)18(16)23)13(21)10-15-19(3,4)7-6-8-20(15,17)5/h9,11,15,22-23H,6-8,10H2,1-5H3/t15-,20-/m0/s1
InChIKey: InChIKey=LMJBIFCLJPOYLS-YWZLYKJASA-N
Formula: C20H28O3
Molecular Weight: 316.435274
Exact Mass: 316.203845
NMR Solvent: CD3C≡N
MHz:
Calibration:
NMR references: 13C - Clarkson, C., Staerk, D., Hansen, S.H., Smith, P.J., Jaroszewski, J.W. J Nat Prod (2006) 69, 527-30
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Chinanes; 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) | 39.1 |
| 2 (CH2) | 19.8 |
| 3 (CH2) | 41.4 |
| 4 (C) | 34.1 |
| 5 (CH) | 52.4 |
| 6 (CH2) | 35.1 |
| 7 (C) | 198.4 |
| 8 (C) | 125.4 |
| 9 (C) | 147.9 |
| 10 (C) | 42 |
| 11 (C) | 133.1 |
| 12 (C) | 151.3 |
| 13 (C) | 142.9 |
| 14 (CH) | 110.8 |
| 15 (CH) | 30.6 |
| 16 (CH3) | 20.2 |
| 17 (CH3) | 19.4 |
| 18 (CH3) | 33.2 |
| 19 (CH3) | 22 |
| 20 (CH3) | 18.3 |
