Spektraris NMR
(2R,3R,4R)-5-Chrysanthemen-1,4-diol
Common Name: (2R,3R,4R)-5-Chrysanthemen-1,4-diol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C10H18O2/c1-6(2)9(12)8-7(5-11)10(8,3)4/h7-9,11-12H,1,5H2,2-4H3/t7?,8?,9-/m0/s1
InChIKey: InChIKey=JNCMAYULSXIMJC-HACHORDNSA-N
Formula: C10H18O2
Molecular Weight: 170.249102
Exact Mass: 170.13068
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Fattorusso, E., Santelia, F.U., Appendino, G., Ballero, M., Taglialatela-Scafati, O. J Nat Prod (2004) 67, 37-41
Species:
Notes: Family : Terpenoids, Type : Monoterpenoids, Group : Chrysanthemanes; 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) | 63.1 |
| 2 (CH) | 32.2 |
| 3 (CH) | 34.8 |
| 4 (CH) | 76.8 |
| 5 (C) | 147.5 |
| 6 (CH2) | 111.2 |
| 7 (CH3) | 18.1 |
| 8 (C) | 20.8 |
| 9 (CH3) | 21.9 |
| 10 (CH3) | 21.8 |
