Spektraris NMR
Jungermatrobrunin A
Common Name: Jungermatrobrunin A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C24H32O8/c1-11-15-9-14-10-16(29-12(2)25)19-21(4,5)8-7-17(30-13(3)26)22(19,6)23(14)20(18(15)27)24(11,28)32-31-23/h10,15-20,27-28H,1,7-9H2,2-6H3/t15?,16-,17-,18+,19+,20?,22+,23+,24-/m0/s1
InChIKey: InChIKey=WXIBMYGOGQQGHB-VIAFZBRUSA-N
Formula: C24H32O8
Molecular Weight: 448.507005
Exact Mass: 448.209718
NMR Solvent: C+M
MHz:
Calibration:
NMR references: 13C - Qu, J.B., Zhu, R.L., Zhang, Y.L., Guo, H.F., Wang, X.N., Xie, C.F., Yu, W.T., Ji, M., Lou, H.X. J Nat Prod (2008) 71, 1418-22
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Miscellanea; 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) | 75.8 |
| 2 (CH2) | 24.9 |
| 3 (CH2) | 42.1 |
| 4 (C) | 34.5 |
| 5 (CH) | 47.9 |
| 6 (CH) | 67.4 |
| 7 (CH) | 125.4 |
| 8 (C) | 136.3 |
| 9 (C) | 94.3 |
| 10 (C) | 44.2 |
| 11 (CH) | 66.8 |
| 12 (CH) | 73.5 |
| 13 (CH) | 47.9 |
| 14 (CH2) | 39.6 |
| 15 (C) | 113.2 |
| 16 (C) | 156.5 |
| 17 (CH2) | 108.5 |
| 18 (CH3) | 32.4 |
| 19 (CH3) | 25 |
| 20 (CH3) | 14.4 |
| 1a (C) | 170.4 |
| 1b (CH3) | 21.8 |
| 6a (C) | 170.1 |
| 6b (CH3) | 21.6 |
