Spektraris NMR
Pubinernoid C
Common Name: Pubinernoid C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H26O2/c1-10-7-8-15(17)11(2)5-6-12(13(15)9-10)14(3,4)16/h9,11-13,16-17H,5-8H2,1-4H3/t11-,12-,13+,15+/m1/s1
InChIKey: InChIKey=VGRWYWYZXQMAGQ-CXTNEJHOSA-N
Formula: C15H26O2
Molecular Weight: 238.366308
Exact Mass: 238.19328
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Huang, S.X., Yang, J., Xiao, W.L., Zhu, Y.L., Li, R.T., Li, L.M., Pu, J.X., Li, X., Li, S.H., Sun, H.D. Helv Chim Acta (2006) 89, 1169-75
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Amorphanes; 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 (C) | 72.7 |
| 2 (CH2) | 21.9 |
| 3 (CH2) | 26.6 |
| 4 (C) | 136.3 |
| 5 (CH) | 122.5 |
| 6 (CH) | 48 |
| 7 (CH) | 54.9 |
| 8 (CH2) | 28.9 |
| 9 (CH2) | 31.1 |
| 10 (CH) | 41.5 |
| 11 (C) | 74 |
| 12 (CH3) | 24.8 |
| 13 (CH3) | 30.2 |
| 14 (CH3) | 23.4 |
| 15 (CH3) | 15.2 |
