Spektraris NMR
10(E)-b-Santalic acid
Common Name: 10(E)-b-Santalic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H22O2/c1-10(14(16)17)5-4-8-15(3)11(2)12-6-7-13(15)9-12/h5,12-13H,2,4,6-9H2,1,3H3,(H,16,17)/b10-5+/t12-,13+,15+/m0/s1
InChIKey: InChIKey=PMCPDNGTLRPFQQ-KQEJHUTCSA-N
Formula: C15H22O2
Molecular Weight: 234.334545
Exact Mass: 234.16198
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 : Santalanes; 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 (CH) | 46.7 |
| 2 (C) | 165.7 |
| 3 (C) | 44.7 |
| 4 (CH) | 44.7 |
| 5 (CH2) | 23.7 |
| 6 (CH2) | 29.6 |
| 7 (CH2) | 37.1 |
| 8 (CH2) | 39.3 |
| 9 (CH2) | 24.7 |
| 10 (CH) | 145.5 |
| 11 (C) | 126.4 |
| 12 (CH3) | 12 |
| 13 (C) | 172.5 |
| 14 (CH2) | 100.1 |
| 15 (CH3) | 22.6 |
