Spektraris NMR
ZINC31155673
Common Name: ZINC31155673
Synonyms: ZINC31155673
CAS Registry Number:
InChI: InChI=1S/C19H32O7/c1-10-7-12(21)8-19(3,4)13(10)6-5-11(2)25-18-17(24)16(23)15(22)14(9-20)26-18/h7,11,13-18,20,22-24H,5-6,8-9H2,1-4H3/t11-,13-,14+,15+,16-,17+,18+/m0/s1
InChIKey: InChIKey=NYLNHNDMNOPWAZ-CODAKJSOSA-N
Formula: C19H32O7
Molecular Weight: 372.453921
Exact Mass: 372.214803
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Masuoka, C., Ono, M., Ito, Y., Okawa, M., Nohara, T. Chem Pharm Bull (2002) 50, 1413-5
Species:
Notes: Family : Terpenoids, Type : Miscellanea, Group : Megastigmanes; 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) | 36.2 |
| 2 (CH2) | 47.7 |
| 3 (C) | 198.4 |
| 4 (CH) | 125.3 |
| 5 (C) | 165.2 |
| 6 (CH) | 51 |
| 7 (CH2) | 25.9 |
| 8 (CH2) | 37 |
| 9 (CH) | 75.2 |
| 10 (CH3) | 19.9 |
| 11 (CH3) | 27.1 |
| 12 (CH3) | 28.7 |
| 13 (CH3) | 24.3 |
| 1' (CH) | 102.3 |
| 2' (CH) | 74.1 |
| 3' (CH) | 78.6 |
| 4' (CH) | 71.9 |
| 5' (CH) | 78.4 |
| 6' (CH2) | 63 |
