Spektraris NMR
Auriculatoside C
Common Name: Auriculatoside C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H28O10/c1-8-4-13(30-22-19(27)18(26)17(25)14(31-22)6-29-7-23)16-10(3)21(28)32-20(16)15-9(2)12(24)5-11(8)15/h7,11-20,22,24-27H,1-6H2/t11-,12-,13-,14+,15-,16+,17+,18-,19+,20+,22+/m0/s1
InChIKey: InChIKey=QFJLSKPDIUBHCC-YUDOZNKYSA-N
Formula: C22H28O10
Molecular Weight: 452.45258
Exact Mass: 452.168247
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Wang, C.Z., Yu, D.Q. Phytochemistry (1997) 45, 1483-7
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 (CH) | 46.3 |
| 2 (CH2) | 43.2 |
| 3 (CH) | 67 |
| 4 (C) | 150.9 |
| 5 (CH) | 52 |
| 6 (CH) | 79.8 |
| 7 (CH) | 50.5 |
| 8 (CH) | 81.9 |
| 9 (CH2) | 38.9 |
| 10 (C) | 145.3 |
| 11 (C) | 137.7 |
| 12 (C) | 172.2 |
| 13 (CH2) | 122.4 |
| 14 (CH2) | 117 |
| 15 (CH2) | 113.3 |
| 1' (CH) | 103.7 |
| 2' (CH) | 75.2 |
| 3' (CH) | 78.1 |
| 4' (CH) | 71.6 |
| 5' (CH) | 75.1 |
| 6' (CH2) | 64.2 |
| 6'a (CH) | 162.9 |
