(2)-Carota-3(4), 11(12)-dien-5-one

(2)-Carota-3(4), 11(12)-dien-5-one

Common Name: (2)-Carota-3(4), 11(12)-dien-5-one

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C15H22O/c1-10(2)12-7-8-15(4)9-14(16)11(3)5-6-13(12)15/h5,12-13H,1,6-9H2,2-4H3/t12-,13+,15-/m1/s1

InChIKey: InChIKey=BZDNYHHOMYLPPW-VNHYZAJKSA-N

Formula: C15H22O1

Molecular Weight: 218.33514

Exact Mass: 218.167065

NMR Solvent: C6D6

MHz:

Calibration:

NMR references: 13C - Aladedunye, F.A., Benn, M.H., Okorie, D.A. Nat Prod Res (2008) 22, 879-83

Species:

Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Daucanes; 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) 48.5
2 (CH2) 42.3
3 (CH2) 28.7
4 (CH) 50
5 (CH) 49.2
6 (CH2) 28.7
7 (CH) 139.1
8 (C) 137.7
9 (C) 217.1
10 (CH2) 59.3
11 (C) 159.2
12 (CH2) 113.7
13 (CH3) 24.1
14 (CH3) 23.2
15 (CH3) 19.4