Spektraris NMR
(5R)-2,6,9-humulatrien-5-ol-8-one
Common Name: (5R)-2,6,9-humulatrien-5-ol-8-one
Synonyms: (5R)-2,6,9-humulatrien-5-ol-8-one
CAS Registry Number:
InChI: InChI=1S/C15H22O2/c1-11-5-7-15(3,4)8-6-14(17)12(2)10-13(16)9-11/h5-6,8,10,13,16H,7,9H2,1-4H3/b8-6+,11-5+,12-10+/t13-/m1/s1
InChIKey: InChIKey=NBVYFPSAUFQMAK-XVCAIJIUSA-N
Formula: C15H22O2
Molecular Weight: 234.334545
Exact Mass: 234.16198
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) | 42.5 |
| 2 (CH) | 126.7 |
| 3 (C) | 133.1 |
| 4 (CH2) | 49.2 |
| 5 (CH) | 64.9 |
| 6 (CH) | 145.6 |
| 7 (C) | 140.6 |
| 8 (C) | 204.2 |
| 9 (CH) | 127.3 |
| 10 (CH) | 162.4 |
| 11 (C) | 38.5 |
| 12 (CH3) | 24.2 |
| 13 (CH3) | 29.3 |
| 14 (CH3) | 12.2 |
| 15 (CH3) | 16.5 |
