Spektraris NMR
22-Deoxyvariabilin
Common Name: 22-Deoxyvariabilin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C25H34O3/c1-19(8-5-9-20(2)11-7-13-23-14-15-27-18-23)10-6-12-21(3)16-24-17-22(4)25(26)28-24/h8,11,14-18,21H,5-7,9-10,12-13H2,1-4H3/b19-8+,20-11+,24-16-/t21-/m1/s1
InChIKey: InChIKey=DRFCKNDZZMWUBI-UFNIODAUSA-N
Formula: C25H34O3
Molecular Weight: 382.536598
Exact Mass: 382.250795
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) | 123.7 |
| 8 (C) | 135.8 |
| 9 (CH3) | 16 |
| 10 (CH2) | 39.5 |
| 11 (CH2) | 26.6 |
| 12 (CH) | 124.4 |
| 13 (C) | 134.8 |
| 14 (CH3) | 15.8 |
| 15 (CH2) | 39.7 |
| 16 (CH2) | 25.7 |
| 17 (CH2) | 36.7 |
| 18 (CH) | 31.3 |
| 19 (CH3) | 20.7 |
| 20 (CH) | 120.5 |
| 21 (C) | 147.5 |
| 22 (CH) | 137.8 |
| 23 (C) | 128.9 |
| 24 (C) | 171.2 |
| 25 (CH3) | 10.5 |
