Spektraris NMR
7,12,13-Trihydroxybisabola-3,10-diene
Common Name: 7,12,13-Trihydroxybisabola-3,10-diene
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H26O3/c1-12-5-7-14(8-6-12)15(2,18)9-3-4-13(10-16)11-17/h4-5,14,16-18H,3,6-11H2,1-2H3/t14-,15-/m0/s1
InChIKey: InChIKey=HRMZZKBWMUXWAR-GJZGRUSLSA-N
Formula: C15H26O3
Molecular Weight: 254.365713
Exact Mass: 254.188195
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) | 27 |
| 2 (CH) | 120.3 |
| 3 (C) | 134.3 |
| 4 (CH2) | 31 |
| 5 (CH2) | 23.3 |
| 6 (CH) | 43.3 |
| 7 (C) | 74.7 |
| 8 (CH2) | 39.6 |
| 9 (CH2) | 21.6 |
| 10 (CH) | 131.8 |
| 11 (C) | 136.9 |
| 12 (CH2) | 67.6 |
| 13 (CH2) | 59.9 |
| 14 (CH3) | 23 |
| 15 (CH3) | 23.3 |
