Spektraris NMR
2,9-Humuladien-6-ol-8-one
Common Name: 2,9-Humuladien-6-ol-8-one
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H24O2/c1-11-5-6-13(16)12(2)14(17)8-10-15(3,4)9-7-11/h7-8,10,12-13,16H,5-6,9H2,1-4H3/b10-8+,11-7+/t12-,13+/m1/s1
InChIKey: InChIKey=OIBRGSMIBZDMCG-HSDCZFFTSA-N
Formula: C15H24O2
Molecular Weight: 236.350426
Exact Mass: 236.17763
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Subehan, Usia, T., Kadota, S., Tezuka, Y. Chem Pharm Bull (2005) 53, 333-5
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Humulanes; 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) | 41.3 |
| 2 (CH) | 122.2 |
| 3 (C) | 137.8 |
| 4 (CH2) | 37.7 |
| 5 (CH2) | 30.7 |
| 6 (CH) | 73.1 |
| 7 (CH) | 54.3 |
| 8 (C) | 201 |
| 9 (CH) | 128.1 |
| 10 (CH) | 152 |
| 11 (C) | 39.9 |
| 12 (CH3) | 23 |
| 13 (CH3) | 28.9 |
| 14 (CH3) | 6.1 |
| 15 (CH3) | 16.1 |
