Spektraris NMR
(7E,12E,18R,20Z)-Variabilin
Common Name: (7E,12E,18R,20Z)-Variabilin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C25H34O4/c1-18(8-5-9-19(2)11-7-13-22-14-15-28-17-22)10-6-12-20(3)16-23-24(26)21(4)25(27)29-23/h8,11,14-17,20,26H,5-7,9-10,12-13H2,1-4H3/b18-8+,19-11+,23-16-/t20-/m1/s1
InChIKey: InChIKey=HPVSJNGZYYDDMU-QULDNTQISA-N
Formula: C25H34O4
Molecular Weight: 398.536003
Exact Mass: 398.24571
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Liu, Y., Mansoor, T.A., Hong, J., Lee, C.O., Sim, C.J., Im, K.S., Kim, N.D., Jung, J.H. J Nat Prod (2003) 66, 1451-6
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) | 143.7 |
| 2 (CH) | 112 |
| 3 (C) | 126.2 |
| 4 (CH) | 140.1 |
| 5 (CH2) | 26 |
| 6 (CH2) | 29.6 |
| 7 (CH) | 125.2 |
| 8 (C) | 136.5 |
| 9 (CH3) | 16.1 |
| 10 (CH2) | 40.4 |
| 11 (CH2) | 27.4 |
| 12 (CH) | 125.6 |
| 13 (C) | 135.8 |
| 14 (CH3) | 16 |
| 15 (CH2) | 40.7 |
| 16 (CH2) | 26.8 |
| 17 (CH2) | 37.6 |
| 18 (CH) | 31.9 |
| 19 (CH3) | 21 |
| 20 (CH) | 115.6 |
| 21 (C) | 145.1 |
| 22 (C) | 165.1 |
| 23 (C) | 98.7 |
| 24 (C) | 173.7 |
| 25 (CH3) | 6 |
