Spektraris NMR
α-santalene
Common Name: α-santalene
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H24/c1-10(2)6-5-7-14(3)11-8-12-13(9-11)15(12,14)4/h6,11-13H,5,7-9H2,1-4H3/t11-,12+,13?,14-,15?/m0/s1
InChIKey: InChIKey=KWFJIXPIFLVMPM-HKGGGCDWSA-N
Formula: C15H24
Molecular Weight: 204.351617
Exact Mass: 204.187801
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Ngo, K.S., Brown, G.D. Phytochemistry (1999) 50, 1213-8
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 (C) | 27.4 |
| 2 (CH) | 19.6 |
| 3 (CH2) | 31.6 |
| 4 (CH) | 38.3 |
| 5 (CH2) | 31.1 |
| 6 (CH) | 19.6 |
| 7 (C) | 45.9 |
| 8 (CH2) | 34.6 |
| 9 (CH2) | 23.4 |
| 10 (CH) | 125.6 |
| 11 (C) | 130.6 |
| 12 (CH3) | 17.6 |
| 13 (CH3) | 25.7 |
| 14 (CH3) | 17.5 |
| 15 (CH3) | 10.7 |
Copyright © 2025
The Spektraris NMR database is developed and hosted by the Lange laboratory at WSU. CAS Registry Number is a Registered Trademark of the American Chemical Society.