Spektraris NMR
Isodojaponin A
Common Name: Isodojaponin A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C24H32O9/c1-11-14-5-6-15-22-10-32-24(30,23(15,18(11)27)19(14)28)20(29)17(22)21(4,9-31-12(2)25)8-7-16(22)33-13(3)26/h14-17,19-20,28-30H,1,5-10H2,2-4H3/t14-,15-,16-,17+,19+,20-,21-,22+,23-,24-/m0/s1
InChIKey: InChIKey=GHFPBIGVWURSNB-NFNPFXJOSA-N
Formula: C24H32O9
Molecular Weight: 464.50641
Exact Mass: 464.204633
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Hong, S.S., Lee, S.A., Han, X.H., Hwang, J.S., Lee, C., Lee, D., Hong, J.T., Kim, Y., Lee, H., Hwang, B.Y. J Nat Prod (2008) 71, 1055-8
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Kauranes; 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) | 75.4 |
| 2 (CH2) | 25.1 |
| 3 (CH2) | 32.9 |
| 4 (C) | 37.5 |
| 5 (CH) | 61.3 |
| 6 (CH) | 73.3 |
| 7 (C) | 98.4 |
| 8 (C) | 62.4 |
| 9 (CH) | 52.4 |
| 10 (C) | 40.2 |
| 11 (CH2) | 18.4 |
| 12 (CH2) | 30.3 |
| 13 (CH) | 43.7 |
| 14 (CH) | 73.4 |
| 15 (C) | 209.2 |
| 16 (C) | 152.9 |
| 17 (CH2) | 119.6 |
| 18 (CH3) | 27 |
| 19 (CH2) | 66.2 |
| 20 (CH2) | 64 |
| 1a (C) | 170.9 |
| 1b (CH3) | 21.3 |
| 19a (C) | 170.1 |
| 19b (CH3) | 20.7 |
