Spektraris NMR
Javanicoside F
Common Name: Javanicoside F
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C33H44O16/c1-6-12(2)7-18(35)49-24-26-32-11-45-33(26,30(43)44-5)27(41)23(40)25(32)31(4)9-15(19(36)13(3)14(31)8-17(32)48-28(24)42)46-29-22(39)21(38)20(37)16(10-34)47-29/h7,9,13-14,16-17,20-27,29,34,37-41H,6,8,10-11H2,1-5H3/b12-7+/t13-,14-,16+,17+,20+,21-,22+,23+,24+,25+,26+,27-,29+,31-,32+,33-/m0/s1
InChIKey: InChIKey=SVLMUIWHTIHSPF-JNNRAAQNSA-N
Formula: C33H44O16
Molecular Weight: 696.694157
Exact Mass: 696.262935
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Kim, I.H., Takashima, S., Hitotsuyanagi, Y., Hasuda, T., Takeya, K. J Nat Prod (2004) 67, 863-8
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) | 129.3 |
| 2 (C) | 148.9 |
| 3 (C) | 194.5 |
| 4 (CH) | 41.4 |
| 5 (CH) | 43.8 |
| 6 (CH2) | 30 |
| 7 (CH) | 83.5 |
| 8 (C) | 46.6 |
| 9 (CH) | 40.6 |
| 10 (C) | 39.5 |
| 11 (CH) | 73.5 |
| 12 (CH) | 76 |
| 13 (C) | 82.6 |
| 14 (CH) | 50.3 |
| 15 (CH) | 68.5 |
| 16 (C) | 168.3 |
| 18 (CH3) | 12.6 |
| 19 (CH3) | 17.9 |
| 20 (CH2) | 73.7 |
| 21 (C) | 171.2 |
| 1' (CH) | 102 |
| 2' (CH) | 74.7 |
| 3' (CH) | 78.5 |
| 4' (CH) | 71.4 |
| 5' (CH) | 78.9 |
| 6' (CH2) | 62.3 |
| 15a (C) | 165.8 |
| 15b (CH) | 114.3 |
| 15c (C) | 163.7 |
| 15d (CH2) | 33.6 |
| 15e (CH3) | 18.8 |
| 15ca (CH3) | 11.7 |
| 21a (CH3) | 52.3 |
