Spektraris NMR
Pubinernoid B
Common Name: Pubinernoid B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H24O2/c1-10(2)15-8-7-14(4,17-15)11-5-6-13(3,16)12(11)9-15/h9-11,16H,5-8H2,1-4H3/t11-,13+,14+,15-/m0/s1
InChIKey: InChIKey=WHSVRTGSYRNMKX-MYPMTAMASA-N
Formula: C15H24O2
Molecular Weight: 236.350426
Exact Mass: 236.17763
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 : Guaianes; 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) | 51.6 |
| 2 (CH2) | 24.7 |
| 3 (CH2) | 40 |
| 4 (C) | 76.3 |
| 5 (C) | 151.5 |
| 6 (CH) | 122.5 |
| 7 (C) | 84.4 |
| 8 (CH2) | 36.6 |
| 9 (CH2) | 39.9 |
| 10 (C) | 78.9 |
| 11 (CH) | 34.5 |
| 12 (CH3) | 17.1 |
| 13 (CH3) | 17.9 |
| 14 (CH3) | 23.3 |
| 15 (CH3) | 29.1 |
