Spektraris NMR
4,5-seco-Guaiane
Common Name: 4,5-seco-Guaiane
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H24O3/c1-10(2)12-6-5-11(3)15(13(16)9-12)8-7-14(4,17)18-15/h9-11,17H,5-8H2,1-4H3/t11?,14-,15-/m1/s1
InChIKey: InChIKey=DEUKUKOYCDQWBC-PJYWTSEFSA-N
Formula: C15H24O3
Molecular Weight: 252.349831
Exact Mass: 252.172545
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Cullmann, F., Becker, H. Phytochemistry (1998) 47, 237-45
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Guaianes; 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) | 91.8 |
| 2 (CH2) | 24.6 |
| 3 (CH2) | 30.6 |
| 4 (C) | 98.6 |
| 5 (C) | 201 |
| 6 (CH) | 123.3 |
| 7 (C) | 165 |
| 8 (CH2) | 30.8 |
| 9 (CH2) | 35.4 |
| 10 (CH) | 38.3 |
| 11 (CH) | 37.2 |
| 12 (CH3) | 21 |
| 13 (CH3) | 20.5 |
| 14 (CH3) | 15.4 |
| 15 (CH3) | 25.3 |
Copyright © 2024
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.