Spektraris NMR
Pseudoanisatin Hemiketal
Common Name: Pseudoanisatin Hemiketal
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H22O6/c1-8-4-9(16)15-11(2)7-20-10(17)5-13(8,15)6-14(19,21-15)12(11,3)18/h8-9,16,18-19H,4-7H2,1-3H3/t8-,9+,11+,12-,13+,14+,15+/m1/s1
InChIKey: InChIKey=LNAKLMRMQNPPRW-SYCJPJSDSA-N
Formula: C15H22O6
Molecular Weight: 298.332165
Exact Mass: 298.141638
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Schmidt, T.J. J Nat Prod (1999) 62, 684-7
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Prezizaanes; 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) | 44.2 |
| 2 (CH2) | 44.4 |
| 3 (CH) | 73 |
| 4 (C) | 91.9 |
| 5 (C) | 51.7 |
| 6 (C) | 79.8 |
| 7 (C) | 109.5 |
| 8 (CH2) | 39.7 |
| 9 (C) | 52.6 |
| 10 (CH2) | 33.7 |
| 11 (C) | 175 |
| 12 (CH3) | 18.9 |
| 13 (CH3) | 16.8 |
| 14 (CH2) | 71.5 |
| 15 (CH3) | 14.1 |
