1,2-Dehydro-3-oxo-β-gurjunene

1,2-Dehydro-3-oxo-β-gurjunene

Common Name: 1,2-Dehydro-3-oxo-β-gurjunene

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C15H20O/c1-8-5-6-11-14(15(11,3)4)13-9(2)12(16)7-10(8)13/h7-8,11,13-14H,2,5-6H2,1,3-4H3/t8-,11-,13-,14-/m0/s1

InChIKey: InChIKey=KIXJUGBBHBKEHB-LDZXTUBUSA-N

Formula: C15H20O1

Molecular Weight: 216.319258

Exact Mass: 216.151415

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Tazaki, H., Okihara, T., Koshino, H., Kobayashi, K., Naβ, K. Phytochemistry (1998) 48, 147-9

Species:

Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Aromadendranes; 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 (C) 184.18
2 (CH) 128.89
3 (C) 196.31
4 (C) 149.26
5 (CH) 44.94
6 (CH) 31.57
7 (CH) 29.39
8 (CH2) 24.36
9 (CH2) 35.5
10 (CH) 40.47
11 (C) 20.51
12 (CH3) 16.35
13 (CH3) 28.5
14 (CH3) 19.79
15 (CH2) 114.24