Spektraris NMR
ZINC03978381
Common Name: ZINC03978381
Synonyms: ZINC03978381
CAS Registry Number:
InChI: InChI=1S/C21H30O3/c1-13(2)18-14-7-10-17-20(3,15(14)8-9-16(18)22)11-6-12-21(17,4)19(23)24-5/h8-9,13,17,22H,6-7,10-12H2,1-5H3/t17-,20-,21+/m1/s1
InChIKey: InChIKey=VEJJMTHWRMKGKN-UIFIKXQLSA-N
Formula: C21H30O3
Molecular Weight: 330.461891
Exact Mass: 330.219495
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Reynolds, M., Chaturvedula, V.S.P., Ratovoson, F., Andriantsiferana, R., Rasamison, V.E., Guza, R.C., Kingston, D.G.I. Nat Prod Res (2006) 20, 606-10
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Totaranes; 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 (CH2) | 40.5 |
| 2 (CH2) | 20.7 |
| 3 (CH2) | 37.7 |
| 4 (C) | 43.9 |
| 5 (CH) | 52.3 |
| 6 (CH2) | 21.8 |
| 7 (CH2) | 30.4 |
| 8 (C) | 135.3 |
| 9 (C) | 139.7 |
| 10 (C) | 38.5 |
| 11 (CH) | 124.4 |
| 12 (CH) | 115.2 |
| 13 (C) | 154.9 |
| 14 (C) | 131.4 |
| 15 (CH) | 28.1 |
| 16 (CH3) | 20.4 |
| 17 (CH3) | 20.5 |
| 18 (CH3) | 28.3 |
| 19 (C) | 177.6 |
| 20 (CH3) | 23.3 |
| 19a (CH3) | 51 |
