Spektraris NMR
Pentandrin glucoside
Common Name: Pentandrin glucoside
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C24H26O12/c1-31-11-6-13(26)18-14(7-11)34-9-12(19(18)27)10-4-15(32-2)23(33-3)16(5-10)35-24-22(30)21(29)20(28)17(8-25)36-24/h4-7,9,17,20-22,24-26,28-30H,8H2,1-3H3/t17-,20-,21+,22-,24-/m0/s1
InChIKey: InChIKey=MMPUBKJEHCUWON-JHXDLCHDSA-N
Formula: C24H26O12
Molecular Weight: 506.45698
Exact Mass: 506.142426
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - Ngounou, F.N., Meli, A.L., Lontsi, D., Sondengam, B.L., Atta Ur, R., Choudhary, M.I., Malik, S., Akhtar, F. Phytochemistry (2000) 54, 107-10
Species:
Notes: Family : Flavonoids, Type : Isoflavonoids, Group : Isoflavones; 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 (CH) | 155.1 |
| 3 (C) | 122.3 |
| 4 (C) | 180 |
| 5 (C) | 161.7 |
| 6 (CH) | 98.3 |
| 7 (C) | 165.3 |
| 8 (CH) | 92.4 |
| 9 (C) | 157.4 |
| 10 (C) | 105.3 |
| 1' (C) | 125.8 |
| 2' (CH) | 110.1 |
| 3' (C) | 152.7 |
| 4' (C) | 138.5 |
| 5' (C) | 150.6 |
| 6' (CH) | 107.7 |
| 1'' (CH) | 101 |
| 2'' (CH) | 77.1 |
| 3'' (CH) | 76.7 |
| 4'' (CH) | 73.4 |
| 5'' (CH) | 69.9 |
| 6'' (CH2) | 60.8 |
| 7a (CH3) | 56 |
| 3'a (CH3) | 56.1 |
| 4'a (CH3) | 60.3 |
