Spektraris NMR
Isodojaponin B
Common Name: Isodojaponin B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C24H32O9/c1-11-14-7-15(33-13(3)26)17-22-10-32-24(30,23(17,8-14)19(11)28)20(29)18(22)21(4,6-5-16(22)27)9-31-12(2)25/h14-18,20,27,29-30H,1,5-10H2,2-4H3/t14-,15-,16+,17+,18-,20+,21+,22+,23+,24+/m1/s1
InChIKey: InChIKey=LEVRALBKFMUOBN-BWGTVNLZSA-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) | 73.2 |
| 2 (CH2) | 30.3 |
| 3 (CH2) | 34.2 |
| 4 (C) | 37.2 |
| 5 (CH) | 60 |
| 6 (CH) | 74.4 |
| 7 (C) | 96.4 |
| 8 (C) | 59.3 |
| 9 (CH) | 54.1 |
| 10 (C) | 43.1 |
| 11 (CH) | 70.3 |
| 12 (CH2) | 38.5 |
| 13 (CH) | 34.3 |
| 14 (CH2) | 27.3 |
| 15 (C) | 209.2 |
| 16 (C) | 153.3 |
| 17 (CH2) | 118.1 |
| 18 (CH3) | 29.1 |
| 19 (CH2) | 67.4 |
| 20 (CH2) | 65.5 |
| 11a (C) | 170.2 |
| 11b (CH3) | 22.1 |
| 19a (C) | 170.8 |
| 19b (CH3) | 20.8 |
