Spektraris NMR
Punctaliutrin-5í-acetate
Common Name: Punctaliutrin-5í-acetate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H26O9/c1-5-12(9-27-11(3)24)21(26)29-15-7-22(4)19(31-22)18-17(30-18)13(8-23)6-14-16(15)10(2)20(25)28-14/h5-6,14-19,23H,2,7-9H2,1,3-4H3/b12-5-,13-6+/t14-,15-,16+,17+,18+,19-,22+/m1/s1
InChIKey: InChIKey=XUMWIQSSHLAZBI-VADUZOLDSA-N
Formula: C22H26O9
Molecular Weight: 434.437294
Exact Mass: 434.157682
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Lu, T.S., Cantrell, C.L., Vargas, D., Fronczek, F.R., Franzblau, S.G., Fischer, N.H. Phytochemistry (1994) 37, 1295-9
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Germacranes; 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) | 60.3 |
| 2 (CH) | 131.4 |
| 3 (CH) | 128.5 |
| 4 (C) | 139.1 |
| 5 (CH) | 124.9 |
| 6 (CH) | 75.2 |
| 7 (CH) | 50 |
| 8 (CH) | 77.4 |
| 9 (CH2) | 42.9 |
| 10 (C) | 61.5 |
| 11 (C) | 136.9 |
| 12 (C) | 169 |
| 13 (CH2) | 125.3 |
| 14 (CH3) | 19.6 |
| 15 (CH2) | 65.3 |
| 1' (C) | 164.5 |
| 2' (C) | 126.5 |
| 3' (CH) | 147.9 |
| 4' (CH3) | 15.9 |
| 5' (CH2) | 65.1 |
| 5'a (C) | 170.7 |
| 5'b (CH3) | 20.9 |
