Spektraris NMR
6,11,12,16-Tetrahydroxy-5,8,11,13-abitetetraen-7-one
Common Name: 6,11,12,16-Tetrahydroxy-5,8,11,13-abitetetraen-7-one
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H26O5/c1-10(9-21)11-8-12-13(16(24)14(11)22)20(4)7-5-6-19(2,3)18(20)17(25)15(12)23/h8,10,21-22,24-25H,5-7,9H2,1-4H3/t10?,20-/m1/s1
InChIKey: InChIKey=KPIDDSZEIRXHPH-AKYJZCGHSA-N
Formula: C20H26O5
Molecular Weight: 346.418202
Exact Mass: 346.178024
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Han, L., Huang, X., Dahse, H.M., Moellmann, U., Grabley, S., Lin, W., Sattler, I. Planta Med (2008) 74, 432-7
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) | 29.4 |
| 2 (CH2) | 17.6 |
| 3 (CH2) | 36.4 |
| 4 (C) | 36.4 |
| 5 (C) | 144.1 |
| 6 (C) | 142.9 |
| 7 (C) | 180.1 |
| 8 (C) | 120.6 |
| 9 (C) | 138.2 |
| 10 (C) | 40.9 |
| 11 (C) | 142.8 |
| 12 (C) | 146.9 |
| 13 (C) | 129.6 |
| 14 (CH) | 117.7 |
| 15 (CH) | 37.8 |
| 16 (CH2) | 69.6 |
| 17 (CH3) | 15.2 |
| 18 (CH3) | 27.9 |
| 19 (CH3) | 27.2 |
| 20 (CH3) | 27.2 |
