Spektraris NMR
Stereumin A
Common Name: Stereumin A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H22O4/c1-8-4-12-11(5-13(8)16)9(2)6-14(17)15(12,18)10(3)7-19-14/h4,9,11-13,16-18H,3,5-7H2,1-2H3/t9-,11+,12-,13-,14+,15+/m0/s1
InChIKey: InChIKey=NKEGBJQNBIHVLT-VSDVIHSJSA-N
Formula: C15H22O4
Molecular Weight: 266.333355
Exact Mass: 266.151809
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) | 36.5 |
| 2 (CH2) | 36.6 |
| 3 (CH) | 68 |
| 4 (C) | 135.6 |
| 5 (CH) | 126.1 |
| 6 (CH) | 47.5 |
| 7 (C) | 77 |
| 8 (C) | 106.2 |
| 9 (CH2) | 42.6 |
| 10 (CH) | 33.9 |
| 11 (C) | 148 |
| 12 (CH2) | 110.9 |
| 13 (CH2) | 67.5 |
| 14 (CH3) | 20.7 |
| 15 (CH3) | 18.5 |
