Spektraris NMR
Auriculatoside A
Common Name: Auriculatoside A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C26H44O9/c1-5-24(4)10-14(29)21-25(13-28)8-6-7-23(2,3)16(25)9-17(26(21,33)12-24)35-22-20(32)19(31)18(30)15(11-27)34-22/h5,14-22,27-33H,1,6-13H2,2-4H3/t14-,15+,16-,17-,18+,19-,20+,21+,22-,24+,25+,26-/m0/s1
InChIKey: InChIKey=KXHQDUOYXAVCKN-MYUSXCGBSA-N
Formula: C26H44O9
Molecular Weight: 500.623171
Exact Mass: 500.298533
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Wang, C.Z., Yu, D.Q. Phytochemistry (1997) 45, 1483-7
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Pimaranes; 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 (CH2) | 39.1 |
| 2 (CH2) | 20.5 |
| 3 (CH2) | 42.8 |
| 4 (C) | 34.5 |
| 5 (CH) | 53.7 |
| 6 (CH2) | 28 |
| 7 (CH) | 80.6 |
| 8 (C) | 77 |
| 9 (CH) | 62 |
| 10 (C) | 44.3 |
| 11 (CH) | 77.9 |
| 12 (CH2) | 46.8 |
| 13 (C) | 31.5 |
| 14 (CH2) | 49.5 |
| 15 (CH) | 149.8 |
| 16 (CH2) | 109.8 |
| 17 (CH3) | 32.6 |
| 18 (CH3) | 34.6 |
| 19 (CH3) | 22.5 |
| 20 (CH2) | 64.3 |
| 1' (CH) | 106 |
| 2' (CH) | 75.5 |
| 3' (CH) | 78.9 |
| 4' (CH) | 71.5 |
| 5' (CH) | 78.7 |
| 6' (CH2) | 62.7 |
