Grosshemin

Grosshemin

Common Name: Grosshemin

Synonyms: Grosshemin

CAS Registry Number:

InChI: InChI=1S/C15H18O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h7,9,11-14,17H,1,3-5H2,2H3/t7-,9+,11+,12+,13-,14-/m1/s1

InChIKey: InChIKey=YGMIBVIKXJJQQJ-MSOSQAFRSA-N

Formula: C15H18O4

Molecular Weight: 262.301592

Exact Mass: 262.120509

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Krasnov, E.A., Raldugin, V.A., Kadyrova, T.V., Kaminskii, I.P. Chem Nat Compd (2006) 42, 495-6

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) 39.33
2 (CH2) 42.69
3 (C) 218.76
4 (CH) 46.11
5 (CH) 49.78
6 (CH) 82.34
7 (CH) 48.82
8 (CH) 71.82
9 (CH2) 47.36
10 (C) 144.62
11 (C) 137.9
12 (C) 169.56
13 (CH2) 123.56
14 (CH2) 114.07
15 (CH3) 14.47