Spektraris NMR
Schizonepetoside A
Common Name: Schizonepetoside A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C16H26O7/c1-8-3-4-10(11(18)5-8)9(2)7-22-16-15(21)14(20)13(19)12(6-17)23-16/h7-8,10,12-17,19-21H,3-6H2,1-2H3/b9-7+/t8-,10?,12+,13+,14-,15+,16+/m0/s1
InChIKey: InChIKey=CMULNSPKSRFQAF-VIBAKODTSA-N
Formula: C16H26O7
Molecular Weight: 330.374068
Exact Mass: 330.167853
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Kubo, M., Sasaki, H., Endo, T., Taguchi, H., Yosioka, I. Chem Pharm Bull (1986) 34, 3097-101
Species:
Notes: Family : Terpenoids, Type : Monoterpenoids, Group : p-Menthanes; 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) | 35 |
| 2 (CH2) | 50.5 |
| 3 (C) | 209.7 |
| 4 (CH) | 54.1 |
| 5 (CH2) | 31.3 |
| 6 (CH2) | 33.9 |
| 7 (CH3) | 22.3 |
| 8 (C) | 113.9 |
| 9 (CH3) | 12.1 |
| 10 (CH) | 141.9 |
| 1' (CH) | 104.7 |
| 2' (CH) | 74.7 |
| 3' (CH) | 78.8 |
| 4' (CH) | 71.2 |
| 5' (CH) | 78.2 |
| 6' (CH2) | 62.4 |
