TuberculariolA

TuberculariolA

Common Name: TuberculariolA

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C15H20O3/c1-10-4-3-5-12-6-7-13(11(2)14(10)12)15(18,8-16)9-17/h3,5-7,10,16-18H,4,8-9H2,1-2H3/t10-/m0/s1

InChIKey: InChIKey=FEBNZIAHNAHIEF-JTQLQIEISA-N

Formula: C15H20O3

Molecular Weight: 248.318068

Exact Mass: 248.141245

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Xu, R., Wang, M.Z., Lu, C.H., Zheng, Z.H., Shen, Y.M. Helv Chim Acta (2009) 92, 1514-9

Species:

Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Cacalols; 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) 127.2
2 (CH) 126.3
3 (CH2) 30.9
4 (CH) 27.7
5 (C) 140.9
6 (C) 133.4
7 (C) 137.5
8 (CH) 124.4
9 (CH) 124.2
10 (C) 132.5
11 (C) 77.3
12 (CH2) 67.4
13 (CH2) 67.5
14 (CH3) 16.2
15 (CH3) 18.4