Spektraris NMR
Javanicosides L
Common Name: Javanicosides L
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C32H46O17/c1-10(2)6-15(34)48-22-24-31-9-45-32(24,29(43)44-5)25(40)20(39)23(31)30(4)12(7-14(31)47-27(22)42)11(3)16(35)21(26(30)41)49-28-19(38)18(37)17(36)13(8-33)46-28/h6,11-14,16-26,28,33,35-41H,7-9H2,1-5H3/t11-,12-,13+,14+,16-,17+,18-,19+,20+,21-,22+,23+,24+,25-,26+,28-,30-,31+,32-/m0/s1
InChIKey: InChIKey=XVNZGJMDXQVTKL-MNNDCRCTSA-N
Formula: C32H46O17
Molecular Weight: 702.698707
Exact Mass: 702.2735
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) | 37.8 |
| 2 (CH) | 77.6 |
| 3 (CH) | 73.5 |
| 4 (CH) | 33.7 |
| 5 (CH) | 38.4 |
| 6 (CH2) | 29.4 |
| 7 (CH) | 84.3 |
| 8 (C) | 46.5 |
| 9 (CH) | 43.6 |
| 10 (C) | 38.8 |
| 11 (CH) | 73.2 |
| 12 (CH) | 76.1 |
| 13 (C) | 82.7 |
| 14 (CH) | 49.9 |
| 15 (CH) | 68.7 |
| 16 (C) | 168.2 |
| 18 (CH3) | 16.5 |
| 19 (CH3) | 15.8 |
| 20 (CH2) | 74.1 |
| 21 (C) | 171.5 |
| 1' (CH) | 103.8 |
| 2' (CH) | 75.2 |
| 3' (CH) | 78.3 |
| 4' (CH) | 71.6 |
| 5' (CH) | 78.4 |
| 6' (CH2) | 62.7 |
| 15a (C) | 165.3 |
| 15b (CH) | 116 |
| 15c (C) | 158.2 |
| 15d (CH3) | 26.9 |
| 15ca (CH3) | 20.1 |
| 21a (CH3) | 52.3 |
