Spektraris NMR
Vignaticol
Common Name: Vignaticol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H32O6/c1-10(2)17(22)9-18(23)14(4)8-19(24)15(17,5)20(18,25)13(26-19)12-11(3)6-7-16(12,14)21/h10-13,21-25H,6-9H2,1-5H3/t11-,12+,13-,14+,15-,16-,17+,18-,19+,20-/m1/s1
InChIKey: InChIKey=VBKHTSMCQKCAJR-ZWLJUCRDSA-N
Formula: C20H32O6
Molecular Weight: 368.465252
Exact Mass: 368.219889
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Fraga, B.M., Gonzalez Coloma, A., Gutierrez, C., Terrero, D. J Nat Prod (1997) 60, 880-3
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Isoryanodanes; 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) | 52 |
| 2 (CH) | 35.9 |
| 3 (CH2) | 34 |
| 4 (CH2) | 38.2 |
| 5 (C) | 88.2 |
| 6 (CH) | 74.4 |
| 7 (C) | 87.4 |
| 8 (C) | 82 |
| 9 (C) | 42.4 |
| 10 (CH2) | 44.2 |
| 11 (C) | 103.1 |
| 12 (C) | 58.7 |
| 13 (C) | 81 |
| 14 (CH2) | 51 |
| 15 (CH3) | 14.8 |
| 16 (CH3) | 17.8 |
| 17 (CH3) | 9.6 |
| 18 (CH) | 34 |
| 19 (CH3) | 18.5 |
| 20 (CH3) | 18.6 |
