Spektraris NMR
Isodojaponin E
Common Name: Isodojaponin E
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C24H30O8/c1-13-16-5-6-17-23(9-16,20(13)28)21(29)31-12-24(17)18(10-25)22(4,11-30-14(2)26)8-7-19(24)32-15(3)27/h10,16-19H,1,5-9,11-12H2,2-4H3/t16-,17-,18-,19+,22+,23+,24?/m1/s1
InChIKey: InChIKey=HNKDUUDWOTVMPV-LENKNMQQSA-N
Formula: C24H30O8
Molecular Weight: 446.491124
Exact Mass: 446.194068
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 : Trichorabales; 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) | 75.3 |
| 2 (CH2) | 24 |
| 3 (CH2) | 34.8 |
| 4 (C) | 39.1 |
| 5 (CH) | 60.9 |
| 6 (CH) | 201.1 |
| 7 (C) | 170.3 |
| 8 (C) | 58.6 |
| 9 (CH) | 43.1 |
| 10 (C) | 43.6 |
| 11 (CH2) | 17.4 |
| 12 (CH2) | 30.6 |
| 13 (CH) | 35 |
| 14 (CH2) | 29.1 |
| 15 (C) | 201.9 |
| 16 (C) | 150.8 |
| 17 (CH2) | 119.1 |
| 18 (CH3) | 28.1 |
| 19 (CH2) | 68.8 |
| 20 (CH2) | 67.6 |
| 1a (C) | 170.3 |
| 1b (CH3) | 20.4 |
| 19a (C) | 170.2 |
| 19b (CH3) | 21.3 |
