Spektraris NMR
Secocuparenal
Common Name: Secocuparenal
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H24O2/c1-12(17)6-7-13(8-11-16)15(4)10-5-9-14(15,2)3/h8,11H,5-7,9-10H2,1-4H3/b13-8+/t15-/m0/s1
InChIKey: InChIKey=XIXWLCCEDTUEIX-NRUITVPNSA-N
Formula: C15H24O2
Molecular Weight: 236.350426
Exact Mass: 236.17763
NMR Solvent: C6D6
MHz:
Calibration:
NMR references: 13C - Nagashima F., Suzuki M., Asakawa Y. Phytochemistry (2001) 56, 807-10
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Cuparanes; 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) | 127.6 |
| 2 (CH) | 190.4 |
| 3 (C) | 204.2 |
| 4 (CH2) | 45.4 |
| 5 (CH2) | 24 |
| 6 (C) | 170.4 |
| 7 (C) | 53.5 |
| 8 (CH2) | 35.8 |
| 9 (CH2) | 19.5 |
| 10 (CH2) | 40.1 |
| 11 (C) | 44.9 |
| 12 (CH3) | 29.2 |
| 13 (CH3) | 22.2 |
| 14 (CH3) | 24.2 |
| 15 (CH3) | 26.5 |
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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.