Spektraris NMR
Lycifuranone C
Common Name: Lycifuranone C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C32H44O8/c1-6-7-8-9-22-17-23(12-10-20-11-13-26(33)28(14-20)37-5)39-31(38-22)25-18-27(34)30(36)19(2)24(25)15-21-16-29(35)40-32(21,3)4/h11,13-14,18,21-23,31,33-34,36H,6-10,12,15-17H2,1-5H3/t21-,22+,23-,31?/m1/s1
InChIKey: InChIKey=AOUDTRLIVVMYQC-AFWKMYCNSA-N
Formula: C32H44O8
Molecular Weight: 556.688181
Exact Mass: 556.303618
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Guo, F.J., Li, Y.C. Helv Chim Acta (2005) 88, 2364-9
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Miscellanea; 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 (C) | 176 |
| 2 (CH2) | 34 |
| 3 (CH) | 46.2 |
| 4 (C) | 86.6 |
| 5 (CH2) | 27 |
| 6 (CH3) | 21.9 |
| 7 (CH3) | 27.2 |
| 8 (C) | 128.3 |
| 9 (C) | 122.8 |
| 10 (C) | 143.6 |
| 11 (C) | 141 |
| 12 (CH) | 112.2 |
| 13 (C) | 127.9 |
| 14 (CH3) | 12.3 |
| 15 (CH) | 99.7 |
| 1' (C) | 133.4 |
| 2' (CH) | 111 |
| 3' (C) | 146.3 |
| 4' (C) | 143.7 |
| 5' (CH) | 114.2 |
| 6' (CH) | 120.8 |
| 1'a (CH2) | 31 |
| 1'b (CH2) | 37.7 |
| 1'c (CH) | 77.4 |
| 1'd (CH2) | 36.5 |
| 1'e (CH) | 77 |
| 1'f (CH2) | 35.9 |
| 1'g (CH2) | 31.8 |
| 1'h (CH2) | 24.6 |
| 1'i (CH2) | 22.5 |
| 1'j (CH3) | 14 |
| 3'a (CH3) | 55.9 |
