Spektraris NMR
1(10)E,5E-Germacradiene-3αH,4αH,7αH-3,11-diol
Common Name: 1(10)E,5E-Germacradiene-3αH,4αH,7αH-3,11-diol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H26O2/c1-11-5-8-13(15(3,4)17)9-7-12(2)14(16)10-6-11/h6-7,9,12-14,16-17H,5,8,10H2,1-4H3/b9-7-,11-6-/t12-,13-,14-/m1/s1
InChIKey: InChIKey=RBBWQOZTCXYKSH-NXIGSEQPSA-N
Formula: C15H26O2
Molecular Weight: 238.366308
Exact Mass: 238.19328
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Guan, S., Grabley, S., Groth, I., Lin, W., Christner, A., Guo, D., Sattler, I. Magn Reson Chem (2005) 43, 1028-31
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Germacranes; 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) | 125.6 |
| 2 (CH2) | 33 |
| 3 (CH) | 72.3 |
| 4 (CH) | 41.4 |
| 5 (CH) | 138.2 |
| 6 (CH) | 125.2 |
| 7 (CH) | 58.8 |
| 8 (CH2) | 20.6 |
| 9 (CH2) | 41.2 |
| 10 (C) | 132.4 |
| 11 (C) | 72 |
| 12 (CH3) | 26.8 |
| 13 (CH3) | 26.5 |
| 14 (CH3) | 16.9 |
| 15 (CH3) | 8.8 |
