Spektraris NMR
Stereumin C
Common Name: Stereumin C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C16H22O4/c1-8-5-6-11-9(2)7-12(17)16(18)10(3)15(19-4)20-14(8)13(11)16/h5,9,11,13-15,18H,3,6-7H2,1-2,4H3/t9-,11+,13+,14+,15-,16?/m1/s1
InChIKey: InChIKey=UXFPPZJZYMHBTF-YQHBSZIESA-N
Formula: C16H22O4
Molecular Weight: 278.344091
Exact Mass: 278.151809
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) | 43.4 |
| 2 (CH2) | 32.3 |
| 3 (CH) | 121.1 |
| 4 (C) | 137.1 |
| 5 (CH) | 73.9 |
| 6 (CH) | 55.5 |
| 7 (C) | 77 |
| 8 (C) | 211.7 |
| 9 (CH2) | 49.2 |
| 10 (CH) | 35.5 |
| 11 (C) | 145.8 |
| 12 (CH) | 99.5 |
| 13 (CH2) | 113.9 |
| 14 (CH3) | 17.4 |
| 15 (CH3) | 18.6 |
| 12a (CH3) | 55.3 |
