Spektraris NMR
nagilactosides C
Common Name: nagilactosides C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C31H44O16/c1-10(2)23-16-12(5-15(34)45-23)30(3)6-11(7-31(4)26(30)25(19(16)37)47-29(31)41)42-28-22(40)24(18(36)14(9-33)44-28)46-27-21(39)20(38)17(35)13(8-32)43-27/h5,10-11,13-14,17-22,24-28,32-33,35-40H,6-9H2,1-4H3/t11-,13-,14-,17-,18-,19+,20+,21-,22-,24+,25+,26+,27+,28-,30+,31-/m0/s1
InChIKey: InChIKey=YKQPHEVALKDZRP-DUKOXAQFSA-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) | 71.9 |
| 3 (CH2) | 33.5 |
| 4 (C) | 42.3 |
| 5 (CH) | 47.7 |
| 6 (CH) | 74.1 |
| 7 (CH) | 59.1 |
| 8 (C) | 111.6 |
| 9 (C) | 169.9 |
| 10 (C) | 36.8 |
| 11 (CH) | 105.6 |
| 12 (C) | 162.5 |
| 14 (C) | 167.1 |
| 15 (CH) | 28.9 |
| 16 (CH3) | 20.6 |
| 17 (CH3) | 20.6 |
| 18 (CH3) | 26.7 |
| 19 (C) | 23.8 |
| 20 (CH3) | 182.2 |
| 1' (CH) | 101.6 |
| 2' (CH) | 72.8 |
| 3' (CH) | 87.4 |
| 4' (CH) | 68.7 |
| 5' (CH) | 77.1 |
| 6' (CH2) | 61.4 |
| 1'' (CH) | 104.1 |
| 2'' (CH) | 74.6 |
| 3'' (CH) | 76.4 |
| 4'' (CH) | 70.5 |
| 5'' (CH) | 76.4 |
| 6'' (CH2) | 61.4 |
