Spektraris NMR
Lancifodilactone E
Common Name: Lancifodilactone E
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C29H36O11/c1-11-16-18-22(26(5,35)23(34)36-18)39-29-19(16)25(4,20(11)32)6-7-27(40-29)10-28-13(8-12(30)17(27)21(29)33)24(2,3)37-14(28)9-15(31)38-28/h11-14,16-19,22,30,35H,6-10H2,1-5H3/t11-,12+,13+,14-,16-,17+,18-,19+,22+,25+,26-,27+,28-,29+/m0/s1
InChIKey: InChIKey=RBGYXAFWYMVSEF-QNZLPYKPSA-N
Formula: C29H36O11
Molecular Weight: 560.590662
Exact Mass: 560.225762
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Li, R.T., Xiang, W., Li, S.H., Lin, Z.W., Sun, H.D. J Nat Prod (2004) 67, 94-7
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Schiartanes; 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 (CH) | 81.5 |
| 2 (CH2) | 35.1 |
| 3 (C) | 175.3 |
| 4 (C) | 84 |
| 5 (CH) | 58.2 |
| 6 (CH2) | 36.6 |
| 7 (CH) | 68 |
| 8 (CH) | 60.5 |
| 9 (C) | 81.4 |
| 10 (C) | 96 |
| 11 (CH2) | 40.9 |
| 12 (CH2) | 30.3 |
| 13 (C) | 49.8 |
| 14 (C) | 209.1 |
| 15 (C) | 98.3 |
| 16 (CH) | 45.5 |
| 17 (C) | 221.6 |
| 18 (CH3) | 25.9 |
| 19 (CH2) | 42.5 |
| 20 (CH) | 41.1 |
| 21 (CH3) | 12.4 |
| 22 (CH) | 33.2 |
| 23 (CH) | 74.6 |
| 24 (CH) | 75.6 |
| 25 (C) | 76.9 |
| 26 (C) | 177.1 |
| 27 (CH3) | 17.5 |
| 28 (CH3) | 21 |
| 29 (CH3) | 27.8 |
