Spektraris NMR
Isodojaponin C
Common Name: Isodojaponin C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C24H32O8/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/h16-19,25H,1,5-12H2,2-4H3/t16-,17-,18-,19+,22+,23+,24?/m1/s1
InChIKey: InChIKey=ULLUXQGKFNCMNG-LENKNMQQSA-N
Formula: C24H32O8
Molecular Weight: 448.507005
Exact Mass: 448.209718
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) | 76.8 |
| 2 (CH2) | 24.6 |
| 3 (CH2) | 34.5 |
| 4 (C) | 38.2 |
| 5 (CH) | 53.7 |
| 6 (CH2) | 58 |
| 7 (C) | 170.8 |
| 8 (C) | 58.6 |
| 9 (CH) | 42.4 |
| 10 (C) | 44.6 |
| 11 (CH2) | 17.9 |
| 12 (CH2) | 30.1 |
| 13 (CH) | 35.3 |
| 14 (CH2) | 29.3 |
| 15 (C) | 202.5 |
| 16 (C) | 151.4 |
| 17 (CH2) | 118.4 |
| 18 (CH3) | 28.1 |
| 19 (CH2) | 67.4 |
| 20 (CH2) | 69.3 |
| 1a (C) | 170.6 |
| 1b (CH3) | 20.7 |
| 19a (C) | 170.3 |
| 19b (CH3) | 21.5 |
