Spektraris NMR
Cyperusol A2
Common Name: Cyperusol A2
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H22O3/c1-9(2)10-5-6-14(3,17)13-11(7-10)15(4,18)8-12(13)16/h10,17-18H,1,5-8H2,2-4H3/t10-,14+,15+/m1/s1
InChIKey: InChIKey=QPSIPXFEOVTZFP-ONERCXAPSA-N
Formula: C15H22O3
Molecular Weight: 250.33395
Exact Mass: 250.156895
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Xu, F., Morikawa, T., Matsuda, H., Ninomiya, K., Yoshikawa, M. J Nat Prod (2004) 67, 569-76
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Guaianes; 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) | 143.5 |
| 2 (C) | 206.8 |
| 3 (CH2) | 51.6 |
| 4 (C) | 76.2 |
| 5 (C) | 173.5 |
| 6 (CH2) | 28.4 |
| 7 (CH) | 43.6 |
| 8 (CH2) | 26.5 |
| 9 (CH2) | 36 |
| 10 (C) | 72.1 |
| 11 (C) | 148.8 |
| 12 (CH2) | 110.3 |
| 13 (CH3) | 20.5 |
| 14 (CH3) | 27.3 |
| 15 (CH3) | 26.4 |
| 1 (C) | 76.9 |
| 2 (CH2) | 30.5 |
| 3 (CH2) | 36.3 |
| 4 (C) | 73.2 |
| 5 (CH) | 76.6 |
| 6 (C) | 91.5 |
| 7 (C) | 157.1 |
| 8 (CH) | 66.5 |
| 9 (CH2) | 34.1 |
| 10 (C) | 84.3 |
| 11 (C) | 130.6 |
| 12 (C) | 171.3 |
| 13 (CH2) | 61.6 |
| 14 (CH3) | 23.7 |
| 15 (CH3) | 19.8 |
| 5a (C) | 168.5 |
| 5b (CH3) | 22.7 |
| 8a (C) | 171.3 |
| 8b (CH3) | 20 |
| 10a (C) | 170.1 |
| 10b (CH3) | 20.9 |
| 13a (CH2) | 66.5 |
| 13b (CH3) | 15.2 |
