Spektraris NMR
(1R,4R)-4-hydroxydauca-7-ene-6,9-dione
Common Name: (1R,4R)-4-hydroxydauca-7-ene-6,9-dione
Synonyms: (1R,4R)-4-hydroxydauca-7-ene-6,9-dione
CAS Registry Number:
InChI: InChI=1S/C15H22O3/c1-9(2)15(18)6-5-14(4)8-12(17)10(3)7-11(16)13(14)15/h7,9,13,18H,5-6,8H2,1-4H3/t13-,14-,15-/m1/s1
InChIKey: InChIKey=ZXKNFFWIVMCXAG-RBSFLKMASA-N
Formula: C15H22O3
Molecular Weight: 250.33395
Exact Mass: 250.156895
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Appendino, G., Spagliardi, P., Sterner, O., Milligan, S. J Nat Prod (2004) 67, 1557-64
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Daucanes; 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) | 42.5 |
| 2 (CH2) | 40.5 |
| 3 (CH2) | 34 |
| 4 (C) | 86.3 |
| 5 (CH) | 63.4 |
| 6 (C) | 202.6 |
| 7 (CH) | 134.8 |
| 8 (C) | 148.1 |
| 9 (C) | 200.7 |
| 10 (CH2) | 58.4 |
| 11 (CH) | 37.6 |
| 12 (CH3) | 18 |
| 13 (CH3) | 17.6 |
| 14 (CH3) | 22.5 |
| 15 (CH3) | 21.2 |
