Spektraris NMR
Javanicoside D
Common Name: Javanicoside D
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C35H48O17/c1-7-14(32(3,4)46)8-19(37)52-25-27-34-12-48-35(27,31(45)47-6)28(43)24(42)26(34)33(5)10-16(20(38)13(2)15(33)9-18(34)51-29(25)44)49-30-23(41)22(40)21(39)17(11-36)50-30/h8,10,13,15,17-18,21-28,30,36,39-43,46H,7,9,11-12H2,1-6H3/b14-8+/t13-,15-,17+,18+,21+,22-,23+,24+,25+,26+,27+,28-,30+,33-,34+,35-/m0/s1
InChIKey: InChIKey=BZHBPAJGRSEIHP-VHQGUAROSA-N
Formula: C35H48O17
Molecular Weight: 740.746796
Exact Mass: 740.28915
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) | 40.4 |
| 10 (C) | 39.6 |
| 11 (CH) | 73.6 |
| 12 (CH) | 76.1 |
| 13 (C) | 82.6 |
| 14 (CH) | 50.4 |
| 15 (CH) | 68.4 |
| 16 (C) | 168.2 |
| 18 (CH3) | 12.5 |
| 19 (CH3) | 17.9 |
| 20 (CH2) | 73.7 |
| 21 (C) | 171.2 |
| 1' (CH) | 102.1 |
| 2' (CH) | 74.7 |
| 3' (CH) | 78.6 |
| 4' (CH) | 71.3 |
| 5' (CH) | 78.9 |
| 6' (CH2) | 62.3 |
| 15a (C) | 166 |
| 15b (CH) | 112.6 |
| 15c (C) | 168.3 |
| 15d (C) | 73.5 |
| 15e (CH3) | 22.9 |
| 15ca (CH2) | 29.2 |
| 15cb (CH3) | 15 |
| 15da (CH3) | 29.3 |
| 21a (CH3) | 52.4 |
