Spektraris NMR
(1R,7S)-1,12-Dihyroxybisabola-3,10-diene
Common Name: (1R,7S)-1,12-Dihyroxybisabola-3,10-diene
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H26O2/c1-12-7-9-15(17,10-8-12)14(3)6-4-5-13(2)11-16/h5,7,14,16-17H,4,6,8-11H2,1-3H3/b13-5-/t14-,15-/m1/s1
InChIKey: InChIKey=KNGVJRHBQKQKMD-RZAHBXAWSA-N
Formula: C15H26O2
Molecular Weight: 238.366308
Exact Mass: 238.19328
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Kim, T.H., Ito, H., Hatano, T., Hasegawa, T., Akiba, A., Machiguchi, T., Yoshida, T. J Nat Prod (2005) 68, 1805-8
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Bisabolanes; 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) | 35.1 |
| 2 (CH) | 118.4 |
| 3 (C) | 134 |
| 4 (CH2) | 27 |
| 5 (CH2) | 30.4 |
| 6 (C) | 72.1 |
| 7 (CH) | 41.6 |
| 8 (CH2) | 31.2 |
| 9 (CH2) | 26.1 |
| 10 (CH) | 128.7 |
| 11 (C) | 134.4 |
| 12 (CH2) | 61.7 |
| 13 (CH3) | 21.3 |
| 14 (CH3) | 13.7 |
| 15 (CH3) | 23.2 |
