Common Name: Pubinernoid A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C11H16O3/c1-10(2)5-7-6-11(3,13)8(12)4-9(10)14-7/h4,7,13H,5-6H2,1-3H3/t7-,11+/m1/s1
InChIKey: InChIKey=VMQAMBIFNUSHAN-HQJQHLMTSA-N
Formula: C11H16O3
Molecular Weight: 196.243362
Exact Mass: 196.109944
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 : Miscellanea; 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)
Position | PPM |
---|---|
1 (CH2) | 47.4 |
2 (CH) | 66.8 |
3 (CH2) | 45.7 |
4 (C) | 86.6 |
5 (C) | 183.2 |
6 (CH) | 113 |
7 (C) | 171.6 |
8 (C) | 35.9 |
9 (CH3) | 26.5 |
10 (CH3) | 30.6 |
11 (CH3) | 27 |