Spektraris NMR
nagilactosides D
Common Name: nagilactosides D
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C31H44O16/c1-10(2)24-16-12(5-15(33)46-24)30(3)6-11(7-31(4)26(30)25(19(16)36)47-29(31)41)43-28-23(40)21(38)18(35)14(45-28)9-42-27-22(39)20(37)17(34)13(8-32)44-27/h5,10-11,13-14,17-23,25-28,32,34-40H,6-9H2,1-4H3/t11-,13-,14-,17-,18-,19+,20+,21+,22-,23-,25+,26+,27-,28-,30+,31-/m0/s1
InChIKey: InChIKey=HALTYQLQMCAMTK-YIVQIOCHSA-N
Formula: C31H44O16
Molecular Weight: 672.672685
Exact Mass: 672.262935
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - Xuan, L.J., Xu, Y.M., Fang, S.D. Phytochemistry (1995) 39, 1143-5
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Nagilactones; 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 (CH2) | 40.4 |
| 2 (CH) | 72.1 |
| 3 (CH2) | 33.6 |
| 4 (C) | 42.6 |
| 5 (CH) | 47.9 |
| 6 (CH) | 74.9 |
| 7 (CH) | 59.3 |
| 8 (C) | 111.8 |
| 9 (C) | 170.4 |
| 10 (C) | 37 |
| 11 (CH) | 105.9 |
| 12 (C) | 163.2 |
| 14 (C) | 167.4 |
| 15 (CH) | 29.1 |
| 16 (CH3) | 20.8 |
| 17 (CH3) | 20.8 |
| 18 (CH3) | 27.1 |
| 19 (C) | 24 |
| 20 (CH3) | 182.7 |
| 1' (CH) | 102.1 |
| 2' (CH) | 73.9 |
| 3' (CH) | 77 |
| 4' (CH) | 70.5 |
| 5' (CH) | 76 |
| 6' (CH2) | 69.1 |
| 1'' (CH) | 103.7 |
| 2'' (CH) | 73.9 |
| 3'' (CH) | 77 |
| 4'' (CH) | 70.5 |
| 5'' (CH) | 77 |
| 6'' (CH2) | 61.6 |
