Spektraris NMR
Verrillin
Common Name: Verrillin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H24O8/c1-7-5-19-14-12-11(6-18(14,3)23)25-17(22)13(12)10(27-19)4-9-8(2)16(21)26-15(9)20(7,24)28-19/h5,8-15,23-24H,4,6H2,1-3H3/t8-,9-,10+,11-,12+,13-,14-,15-,18+,19-,20-/m0/s1
InChIKey: InChIKey=YJMXTIIUVZBPPQ-CRVPYZTRSA-N
Formula: C20H24O8
Molecular Weight: 392.400535
Exact Mass: 392.147118
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Rodriguez, A.D., Shi, Y.G. J Org Chem (2000) 65, 5839-42
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Verillanes; 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) | 42.1 |
| 2 (CH) | 86.7 |
| 3 (C) | 107.6 |
| 4 (C) | 144.2 |
| 5 (CH) | 128.3 |
| 6 (C) | 105.7 |
| 7 (CH) | 49.2 |
| 8 (C) | 77.7 |
| 9 (CH2) | 48 |
| 10 (CH) | 81.8 |
| 11 (CH) | 38.2 |
| 12 (CH) | 41.3 |
| 13 (CH) | 70.2 |
| 14 (CH2) | 37.5 |
| 15 (CH) | 41 |
| 16 (C) | 176.9 |
| 17 (CH3) | 12.2 |
| 18 (CH3) | 12.9 |
| 19 (CH3) | 27.2 |
| 20 (C) | 177.4 |
