Spektraris NMR
(+)-(3R)-Petasitenepoxide
Common Name: (+)-(3R)-Petasitenepoxide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H24O/c1-9(2)15-12(16-15)8-13(3)10-5-6-11(7-10)14(13,15)4/h9-12H,5-8H2,1-4H3/t10-,11+,12-,13+,14-,15-/m0/s1
InChIKey: InChIKey=QQEQJPYRRHIGJN-DEPYFDJDSA-N
Formula: C15H24O1
Molecular Weight: 220.351021
Exact Mass: 220.182715
NMR Solvent: CDCl3
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) | 42.62 |
| 2 (C) | 52.93 |
| 3 (C) | 77.61 |
| 4 (CH) | 62.57 |
| 5 (CH2) | 44.53 |
| 6 (C) | 48.91 |
| 7 (CH) | 50.01 |
| 8 (CH2) | 21.45 |
| 9 (CH2) | 22.31 |
| 10 (CH2) | 33.26 |
| 11 (CH) | 24.76 |
| 12 (CH3) | 19.69 |
| 13 (CH3) | 18.31 |
| 14 (CH3) | 13.89 |
| 15 (CH3) | 20.98 |
