Pubinernoid A

Pubinernoid A

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)

Carbon NMR Peaks

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