Spektraris NMR
Valerianol
Common Name: Valerianol
Synonyms: Valerianol
CAS Registry Number:
InChI: InChI=1S/C15H26O/c1-11-6-5-7-12-8-9-13(14(2,3)16)10-15(11,12)4/h7,11,13,16H,5-6,8-10H2,1-4H3/t11-,13-,15+/m1/s1
InChIKey: InChIKey=MQWIFDHBNGIVPO-KYOSRNDESA-N
Formula: C15H26O1
Molecular Weight: 222.366903
Exact Mass: 222.198365
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - Arantes, S.F., Hanson, J.R., Hitchcock, P.B. Phytochemistry (1999) 52, 1063-7
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Eremophilanes; 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 (CH) | 119.7 |
| 2 (CH2) | 25.7 |
| 3 (CH2) | 27.1 |
| 4 (CH) | 40.9 |
| 5 (C) | 37.5 |
| 6 (CH2) | 40.4 |
| 7 (CH) | 44.3 |
| 8 (CH2) | 28.8 |
| 9 (CH2) | 32.5 |
| 10 (C) | 143 |
| 11 (C) | 72.6 |
| 12 (CH3) | 26.9 |
| 13 (CH3) | 26.9 |
| 14 (CH3) | 18.4 |
| 15 (CH3) | 15.6 |
