Spektraris NMR
Caiophoraenin
Common Name: Caiophoraenin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C11H18O5/c1-5-8-7(13)3-6(4-12)9(8)11(15-2)16-10(5)14/h5-9,11-13H,3-4H2,1-2H3/t5-,6-,7+,8+,9+,11+/m1/s1
InChIKey: InChIKey=ZVEZLXLQLYOFMK-DRZZNBKRSA-N
Formula: C11H18O5
Molecular Weight: 230.258053
Exact Mass: 230.115424
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Khera, S., Woldemichael, G.M., Singh, M.P., Suarez, E., Timmermann, B.N. J Nat Prod (2003) 66, 1628-31
Species:
Notes: Family : Terpenoids, Type : Monoterpenoids, Group : Iridoids; 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) | 96.9 |
| 3 (C) | 175.3 |
| 4 (CH) | 39.9 |
| 5 (CH) | 43.5 |
| 6 (CH) | 75 |
| 7 (CH2) | 40.4 |
| 8 (CH) | 39.7 |
| 9 (CH) | 54.2 |
| 10 (CH2) | 65.2 |
| 11 (CH3) | 12.2 |
| 1a (CH3) | 52.3 |
