Spektraris NMR
Lemnaflavoside
Common Name: Lemnaflavoside
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C25H40O5/c1-15(2)6-5-7-18(13-29-25-24(28)23(27)22(26)14-30-25)20-11-9-17(4)19-10-8-16(3)12-21(19)20/h6,12,18-28H,4-5,7-11,13-14H2,1-3H3/t18?,19-,20+,21-,22-,23+,24-,25-/m1/s1
InChIKey: InChIKey=YSKUIUKSUFDDDK-VFFCNTEFSA-N
Formula: C25H40O5
Molecular Weight: 420.583052
Exact Mass: 420.287574
NMR Solvent: C6D6
MHz:
Calibration:
NMR references: 13C - Rudi, A., Levi, S., Benayahu, Y., Kashman, Y. J Nat Prod (2002) 65, 1672-4
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Bifloranes; 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) | 25 |
| 2 (CH2) | 30.8 |
| 3 (C) | 133 |
| 4 (CH) | 123.7 |
| 5 (CH) | 36.6 |
| 6 (CH) | 40.1 |
| 7 (CH2) | 27.9 |
| 8 (CH2) | 31.8 |
| 9 (C) | 152.5 |
| 10 (CH) | 42.8 |
| 11 (CH) | 36.6 |
| 12 (CH2) | 30.5 |
| 13 (CH2) | 25.9 |
| 14 (CH) | 124.1 |
| 15 (C) | 130.1 |
| 16 (CH3) | 17.6 |
| 17 (CH3) | 23.9 |
| 18 (CH2) | 106.3 |
| 19 (CH2) | 69.8 |
| 20 (CH3) | 25.7 |
| 1' (CH) | 102.7 |
| 2' (CH) | 72.1 |
| 3' (CH) | 74.6 |
| 4' (CH) | 69.1 |
| 5' (CH2) | 63.7 |
