Spektraris NMR
(2R,3S,5R)-2,3-Epoxy-6,9-humuladien-5-ol-8-one
Common Name: (2R,3S,5R)-2,3-Epoxy-6,9-humuladien-5-ol-8-one
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H22O3/c1-10-7-11(16)8-15(4)13(18-15)9-14(2,3)6-5-12(10)17/h5-7,11,13,16H,8-9H2,1-4H3/b6-5+,10-7+/t11-,13-,15+/m0/s1
InChIKey: InChIKey=RTKZIRJGSBHFAV-IOYWDXHUSA-N
Formula: C15H22O3
Molecular Weight: 250.33395
Exact Mass: 250.156895
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Usia, T., Iwata, H., Hiratsuka, A., Watabe, T., Kadota, S., Tezuka, Y. J Nat Prod (2004) 67, 1079-83
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) | 39.8 |
| 2 (CH) | 58.9 |
| 3 (C) | 58.2 |
| 4 (CH2) | 46.2 |
| 5 (CH) | 67.1 |
| 6 (CH) | 133.8 |
| 7 (C) | 139.9 |
| 8 (C) | 200.9 |
| 9 (CH) | 129.3 |
| 10 (CH) | 160 |
| 11 (C) | 36.4 |
| 12 (CH3) | 24 |
| 13 (CH3) | 29.6 |
| 14 (CH3) | 20.9 |
| 15 (CH3) | 19.5 |
