Spektraris NMR
Sterebin K
Common Name: Sterebin K
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H36O4/c1-14(10-13-25-6)8-9-15-20(4)12-7-11-19(2,3)17(20)16(22)18(23)21(15,5)24/h8-10,15-18,22-24H,7,11-13H2,1-6H3/b9-8+,14-10+/t15-,16-,17+,18+,20-,21+/m1/s1
InChIKey: InChIKey=KOMLQPBMYPUDGX-OJTKEJOPSA-N
Formula: C21H36O4
Molecular Weight: 352.508941
Exact Mass: 352.26136
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) | 41 |
| 2 (CH2) | 18.4 |
| 3 (CH2) | 43.6 |
| 4 (C) | 34.4 |
| 5 (CH) | 57.6 |
| 6 (CH) | 71.8 |
| 7 (CH) | 84.5 |
| 8 (C) | 75.1 |
| 9 (CH) | 64.6 |
| 10 (C) | 38.4 |
| 11 (CH) | 123.9 |
| 12 (CH) | 140.4 |
| 13 (C) | 136.8 |
| 14 (CH) | 128.1 |
| 15 (CH2) | 69.1 |
| 16 (CH3) | 13.3 |
| 17 (CH3) | 20.5 |
| 18 (CH3) | 36.5 |
| 19 (CH3) | 22.4 |
| 20 (CH3) | 17.5 |
| 15a (CH3) | 58.6 |
