Spektraris NMR
(-)-Petasitene
Common Name: (-)-Petasitene
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H24/c1-10(2)13-7-8-14(3)11-5-6-12(9-11)15(13,14)4/h7,10-12H,5-6,8-9H2,1-4H3/t11-,12+,14+,15+/m0/s1
InChIKey: InChIKey=ZGKPBXWQOYDEMA-CTHBEMJXSA-N
Formula: C15H24
Molecular Weight: 204.351617
Exact Mass: 204.187801
NMR Solvent: C6D6
MHz:
Calibration:
NMR references: 13C - Saritas, Y., von Reuss, S.H., Konig, W.A. Phytochemistry (2002) 59, 795-803
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Petasitanes; 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) | 45.75 |
| 2 (C) | 59.08 |
| 3 (C) | 156.91 |
| 4 (CH) | 121.47 |
| 5 (CH2) | 50.63 |
| 6 (C) | 47.84 |
| 7 (CH) | 51.39 |
| 8 (CH2) | 24.4 |
| 9 (CH2) | 24.17 |
| 10 (CH2) | 34.89 |
| 11 (CH) | 27.42 |
| 12 (CH3) | 25.61 |
| 13 (CH3) | 25.41 |
| 14 (CH3) | 17.17 |
| 15 (CH3) | 21.14 |
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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.