Spektraris NMR
Spiciflorin
Common Name: Spiciflorin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H20O8/c1-18(6-10(21)8-3-4-25-7-8)9-5-11(26-16(9)22)19(2)14(18)12-13-15(27-13)20(19,24)17(23)28-12/h3-4,7,9,11-15,24H,5-6H2,1-2H3/t9-,11-,12+,13-,14+,15-,18+,19+,20-/m0/s1
InChIKey: InChIKey=KHMPUQOQGWYVMN-UVMMAWJZSA-N
Formula: C20H20O8
Molecular Weight: 388.368772
Exact Mass: 388.115818
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Naengchomnong, W., Pinho, P.M., Kijjoa, A., Sawangwong, P., Gonzalez, M.J., Silva, A.M., Eaton, G., Herz, W. Phytochemistry (2006) 67, 1029-33
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Clerodanes; 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) | 72.84 |
| 2 (CH) | 48.8 |
| 3 (CH) | 51.48 |
| 4 (C) | 77.59 |
| 5 (C) | 45.81 |
| 6 (CH) | 78.5 |
| 7 (CH2) | 29.99 |
| 8 (CH) | 48.26 |
| 9 (C) | 37.04 |
| 10 (CH) | 49.68 |
| 11 (CH2) | 51.82 |
| 12 (C) | 193.65 |
| 13 (C) | 128.05 |
| 14 (CH) | 108.16 |
| 15 (CH) | 147.87 |
| 16 (CH) | 144.56 |
| 17 (C) | 176.9 |
| 18 (C) | 172.6 |
| 19 (CH3) | 22.55 |
| 20 (CH3) | 25.72 |
