Spektraris NMR
(+)-(1R*,5R*,6S*)-Zierene
Common Name: (+)-(1R*,5R*,6S*)-Zierene
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H22/c1-10(2)13-7-5-6-11(3)14-9-8-12(4)15(13)14/h13-15H,1,3-9H2,2H3/t13-,14+,15-/m1/s1
InChIKey: InChIKey=WHXNGWDWVGXRQW-QLFBSQMISA-N
Formula: C15H22
Molecular Weight: 202.335735
Exact Mass: 202.172151
NMR Solvent: C6D6
MHz:
Calibration:
NMR references: 13C - Hackl, T., Konig, W.A., Muhle, H. Phytochemistry (2004) 65, 2261-75
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Zieranes; 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) | 49.6 |
| 2 (CH2) | 29.4 |
| 3 (CH2) | 31.8 |
| 4 (C) | 154.6 |
| 5 (CH) | 52.7 |
| 6 (CH) | 48.8 |
| 7 (CH2) | 35.2 |
| 8 (CH2) | 30.8 |
| 9 (CH2) | 37.5 |
| 10 (C) | 153.2 |
| 11 (C) | 150.4 |
| 12 (CH2) | 110.2 |
| 13 (CH3) | 20.4 |
| 14 (CH2) | 110.8 |
| 15 (CH2) | 107.5 |
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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.