Spektraris NMR
Polycaudoside
Common Name: Polycaudoside
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C25H28O13/c1-9-17(28)20(31)22(33)24(34-9)38-23-21(32)19(30)15(8-26)37-25(23)35-10-5-6-13-11(7-10)18(29)16-12(27)3-2-4-14(16)36-13/h2-7,9,15,17,19-28,30-33H,8H2,1H3/t9-,15+,17-,19+,20+,21-,22+,23+,24-,25+/m0/s1
InChIKey: InChIKey=SACUUGUGVGKUPL-SEUVGDADSA-N
Formula: C25H28O13
Molecular Weight: 536.483003
Exact Mass: 536.152991
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - Li, W.K., Chan, C.L., Leung, H.W., Yeung, H.W., Xiao, P.G. Phytochemistry (1999) 51, 953-8
Species:
Notes: Family : Aromatics, Type : Xanthones; 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 (C) | 160.9 |
| 2 (CH) | 109.5 |
| 3 (CH) | 137.4 |
| 4 (CH) | 107.2 |
| 4a (C) | 155.8 |
| 5 (CH) | 119.6 |
| 6 (CH) | 125.6 |
| 7 (C) | 153.4 |
| 8 (CH) | 110 |
| 8a (C) | 120.4 |
| 9 (C) | 181.3 |
| 9a (C) | 108 |
| 10a (C) | 150.9 |
| 1' (CH) | 98.6 |
| 2' (CH) | 76.9 |
| 3' (CH) | 76.6 |
| 4' (CH) | 69.6 |
| 5' (CH) | 77.1 |
| 6' (CH2) | 60.4 |
| 1'' (CH) | 100.5 |
| 2'' (CH) | 70.4 |
| 3'' (CH) | 70.5 |
| 4'' (CH) | 71.8 |
| 5'' (CH) | 68.3 |
| 6'' (CH3) | 18 |
