Spektraris NMR
Siparunoside
Common Name: Siparunoside
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C29H34O15/c1-11-19(31)22(34)24(36)28(41-11)40-10-17-20(32)23(35)25(37)29(44-17)42-13-6-4-12(5-7-13)26-27(39-3)21(33)18-15(30)8-14(38-2)9-16(18)43-26/h4-9,11,17,19-20,22-25,28-32,34-37H,10H2,1-3H3/t11-,17+,19-,20+,22+,23-,24+,25+,28+,29+/m0/s1
InChIKey: InChIKey=OBYMFGTWPIVNTL-FTLADILHSA-N
Formula: C29H34O15
Molecular Weight: 622.572401
Exact Mass: 622.18977
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Leitao, G.G., Soares, S.S., Brito, T.D., Delle Monache, F. Phytochemistry (2000) 55, 679-82
Species:
Notes: Family : Flavonoids, Type : Flavonoids, Group : Flavonols; 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 |
|---|---|
| 2 (C) | 155.8 |
| 3 (C) | 139.1 |
| 4 (C) | 179 |
| 5 (C) | 162.2 |
| 6 (CH) | 98.3 |
| 7 (C) | 165.8 |
| 8 (CH) | 92.5 |
| 9 (C) | 157 |
| 10 (C) | 106.3 |
| 1' (C) | 124.2 |
| 2' (CH) | 130.5 |
| 3' (CH) | 116.9 |
| 4' (C) | 160.3 |
| 5' (CH) | 116.9 |
| 6' (CH) | 130.5 |
| 1'' (CH) | 101.7 |
| 2'' (CH) | 78.4 |
| 3'' (CH) | 73.8 |
| 4'' (CH) | 69.8 |
| 5'' (CH) | 72.7 |
| 6'' (CH2) | 68 |
| 1''' (CH) | 102.4 |
| 2''' (CH) | 72.1 |
| 3''' (CH) | 77.3 |
| 4''' (CH) | 71.5 |
| 5''' (CH) | 74.6 |
| 6''' (CH3) | 18.4 |
| 3a (CH3) | 60 |
| 7a (CH3) | 55.9 |
