Spektraris NMR
3-Oxocedrol
Common Name: 3-Oxocedrol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H24O2/c1-9-10(16)7-11-13(2,3)12-8-15(9,11)6-5-14(12,4)17/h9,11-12,17H,5-8H2,1-4H3/t9-,11+,12+,14-,15+/m1/s1
InChIKey: InChIKey=OBTVGTKUOGTIMF-ONAWRNRTSA-N
Formula: C15H24O2
Molecular Weight: 236.350426
Exact Mass: 236.17763
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Collins D.O., Reese P.B. Phytochemistry (2001) 56, 417-21
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Cedranes; 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) | 52.6 |
| 2 (CH) | 48.4 |
| 3 (C) | 220 |
| 4 (CH2) | 35.9 |
| 5 (CH) | 58.2 |
| 6 (C) | 44.1 |
| 7 (CH) | 52.3 |
| 8 (C) | 74.2 |
| 9 (CH2) | 35.2 |
| 10 (CH2) | 34.4 |
| 11 (CH2) | 37.7 |
| 12 (CH3) | 8.9 |
| 13 (CH3) | 27.8 |
| 14 (CH3) | 30 |
| 15 (CH3) | 30.1 |
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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.