Spektraris NMR
Stereumin E
Common Name: Stereumin E
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H18O4/c1-6-4-9(16)11-7(2)14(17)18-13-12(11)8(6)5-10-15(13,3)19-10/h6,8,10,12-13H,4-5H2,1-3H3/t6-,8+,10+,12-,13+,15-/m1/s1
InChIKey: InChIKey=QQAVMPULQLQIEJ-PYTFTVEGSA-N
Formula: C15H18O4
Molecular Weight: 262.301592
Exact Mass: 262.120509
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Li, G.H., Duan, M., Yu, Z.F., Li, L., Dong, J.Y., Wang, X.B., Guo, J.W., Huang, R., Wang, M., Zhang, K.Q. Phytochemistry (2008) 69, 1439-45
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Cadinanes; 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) | 40.3 |
| 2 (CH2) | 29.2 |
| 3 (CH) | 60.2 |
| 4 (C) | 58.8 |
| 5 (CH) | 75.1 |
| 6 (CH) | 40 |
| 7 (C) | 151.2 |
| 8 (C) | 202.1 |
| 9 (CH2) | 52.4 |
| 10 (CH) | 38.1 |
| 11 (C) | 124.4 |
| 12 (C) | 165.5 |
| 13 (CH3) | 13.4 |
| 14 (CH3) | 19.7 |
| 15 (CH3) | 20.1 |
