Spektraris NMR
Javanicosides K
Common Name: Javanicosides K
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C34H48O17/c1-12-7-15(48-29-21(39)20(38)19(37)16(10-35)49-29)26(41)32(5)14(12)9-17-33-11-47-34(30(44)46-6,27(42)22(40)24(32)33)25(33)23(28(43)50-17)51-18(36)8-13(2)31(3,4)45/h7-8,14-17,19-27,29,35,37-42,45H,9-11H2,1-6H3/b13-8+/t14-,15-,16+,17+,19+,20-,21+,22+,23+,24+,25+,26+,27-,29+,32-,33+,34-/m0/s1
InChIKey: InChIKey=IGJZDFGUTCEARG-XGNAMUGYSA-N
Formula: C34H48O17
Molecular Weight: 728.73606
Exact Mass: 728.28915
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Kim, I.H., Hitotsuyanagi, Y., Takeya, K. Phytochemistry (2004) 65, 3167-73
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Picrasanes; 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) | 81.3 |
| 2 (CH) | 84.9 |
| 3 (CH) | 124.3 |
| 4 (C) | 135.9 |
| 5 (CH) | 43.1 |
| 6 (CH2) | 28.4 |
| 7 (CH) | 84.3 |
| 8 (C) | 46.7 |
| 9 (CH) | 42.9 |
| 10 (C) | 44.4 |
| 11 (CH) | 75.7 |
| 12 (CH) | 75.7 |
| 13 (C) | 82.5 |
| 14 (CH) | 50.5 |
| 15 (CH) | 68.7 |
| 16 (C) | 168.3 |
| 18 (CH3) | 20.8 |
| 19 (CH3) | 12.2 |
| 20 (CH2) | 74.2 |
| 21 (C) | 171.5 |
| 1' (CH) | 107 |
| 2' (CH) | 76.1 |
| 3' (CH) | 78.6 |
| 4' (CH) | 71.7 |
| 5' (CH) | 78.8 |
| 6' (CH2) | 62.8 |
| 15a (C) | 166.5 |
| 15b (CH) | 112.9 |
| 15c (C) | 168 |
| 15d (C) | 73.2 |
| 15e (CH3) | 28.9 |
| 15f (CH3) | 28.9 |
| 15ca (CH3) | 15.6 |
| 21a (CH3) | 52.3 |
