Spektraris NMR
Andrographatoside
Common Name: Andrographatoside
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C26H42O9/c1-15-5-8-19-25(2,17(15)7-6-16(13-28)9-12-27)10-4-11-26(19,3)24(33)35-23-22(32)21(31)20(30)18(14-29)34-23/h9,17-23,27-32H,1,4-8,10-14H2,2-3H3/b16-9-/t17-,18-,19+,20-,21+,22-,23+,25+,26-/m1/s1
InChIKey: InChIKey=CIKAITHYAAXIRY-IMBMSQNCSA-N
Formula: C26H42O9
Molecular Weight: 498.607289
Exact Mass: 498.282883
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Shen, Y.H., Li, R.T., Xiao, W.L., Xu, G., Lin, Z.W., Zhao, Q.S., Sun, H.D. J Nat Prod (2006) 69, 319-22
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Labdanes; 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) | 39.3 |
| 2 (CH2) | 20.6 |
| 3 (CH2) | 38.6 |
| 4 (C) | 44.8 |
| 5 (CH) | 56.8 |
| 6 (CH2) | 26.5 |
| 7 (CH2) | 39.2 |
| 8 (C) | 148.8 |
| 9 (CH) | 56.3 |
| 10 (C) | 41 |
| 11 (CH2) | 23.2 |
| 12 (CH2) | 34.7 |
| 13 (C) | 142.9 |
| 14 (CH) | 127.5 |
| 15 (CH2) | 58.6 |
| 16 (CH2) | 60.1 |
| 17 (CH2) | 106.9 |
| 18 (CH3) | 29 |
| 19 (C) | 176.6 |
| 20 (CH3) | 13.7 |
| 1' (CH) | 95.8 |
| 2' (CH) | 74.1 |
| 3' (CH) | 79.1 |
| 4' (CH) | 71.1 |
| 5' (CH) | 79.4 |
| 6' (CH2) | 62.3 |
