Spektraris NMR
Sterebin J
Common Name: Sterebin J
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H32O4/c1-13(9-12-21)7-8-14-19(4)11-6-10-18(2,3)16(19)15(22)17(23)20(14,5)24/h7-9,12,14-17,22-24H,6,10-11H2,1-5H3/b8-7+,13-9-/t14-,15-,16+,17+,19-,20+/m1/s1
InChIKey: InChIKey=XWVGZNYHKHGOKZ-FHELPVNXSA-N
Formula: C20H32O4
Molecular Weight: 336.466442
Exact Mass: 336.23006
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - McGarvey, B.D., Attygalle, A.B., Starratt, A.N., Xiang, B., Schroeder, F.C., Brandle, J.E., Meinwald, J. J Nat Prod (2003) 66, 1395-8
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Labdanes; 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) | 40.9 |
| 2 (CH2) | 18.1 |
| 3 (CH2) | 43.3 |
| 4 (C) | 33.9 |
| 5 (CH) | 57.2 |
| 6 (CH) | 71.6 |
| 7 (CH) | 84.3 |
| 8 (C) | 75.2 |
| 9 (CH) | 64 |
| 10 (C) | 38.2 |
| 11 (CH) | 133.7 |
| 12 (CH) | 138.8 |
| 13 (C) | 153.3 |
| 14 (CH) | 129.6 |
| 15 (CH) | 191.4 |
| 16 (CH3) | 13.3 |
| 17 (CH3) | 19.9 |
| 18 (CH3) | 36.2 |
| 19 (CH3) | 22.1 |
| 20 (CH3) | 17.3 |
