Spektraris NMR
22-Deoxy-23-hydroxymethylvariabilin
Common Name: 22-Deoxy-23-hydroxymethylvariabilin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C25H34O4/c1-19(7-4-8-20(2)10-6-12-22-13-14-28-18-22)9-5-11-21(3)15-24-16-23(17-26)25(27)29-24/h7,10,13-16,18,21,26H,4-6,8-9,11-12,17H2,1-3H3/b19-7+,20-10+,24-15-/t21-/m1/s1
InChIKey: InChIKey=XKFYCTFMYKERPS-BYPVDXKYSA-N
Formula: C25H34O4
Molecular Weight: 398.536003
Exact Mass: 398.24571
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - McPhail, K., Davies-Coleman, M.T., Coetzee, P. J Nat Prod (1998) 61, 961-4
Species:
Notes: Family : Terpenoids, Type : Sesterterpenoids, Group : Acyclics; 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) | 142.5 |
| 2 (CH) | 111.1 |
| 3 (C) | 125 |
| 4 (CH) | 138.8 |
| 5 (CH2) | 25 |
| 6 (CH2) | 28.5 |
| 7 (CH) | 123.8 |
| 8 (C) | 135.8 |
| 9 (CH3) | 16 |
| 10 (CH2) | 39.5 |
| 11 (CH2) | 26.6 |
| 12 (CH) | 124.5 |
| 13 (C) | 134.8 |
| 14 (CH3) | 15.8 |
| 15 (CH2) | 39.7 |
| 16 (CH2) | 25.7 |
| 17 (CH2) | 36.6 |
| 18 (CH) | 31.6 |
| 19 (CH3) | 20.6 |
| 20 (CH) | 123.2 |
| 21 (C) | 147.5 |
| 22 (CH) | 137.9 |
| 23 (C) | 131.8 |
| 24 (C) | 172.8 |
| 25 (CH2) | 56.9 |
