Acetic acid (4E)-1,1,5,9-tetramethyl-8-hydroxy-2-[(E)-3-methyl-5-oxo-3-pentenyl]-4,9-decadienyl ester

Acetic acid (4E)-1,1,5,9-tetramethyl-8-hydroxy-2-[(E)-3-methyl-5-oxo-3-pentenyl]-4,9-decadienyl ester

Common Name: Acetic acid (4E)-1,1,5,9-tetramethyl-8-hydroxy-2-[(E)-3-methyl-5-oxo-3-pentenyl]-4,9-decadienyl ester

Synonyms: Acetic acid (4E)-1,1,5,9-tetramethyl-8-hydroxy-2-[(E)-3-methyl-5-oxo-3-pentenyl]-4,9-decadienyl ester

CAS Registry Number:

InChI: InChI=1S/C22H36O4/c1-16(2)21(25)13-10-17(3)8-11-20(12-9-18(4)14-15-23)22(6,7)26-19(5)24/h8,14-15,20-21,25H,1,9-13H2,2-7H3/b17-8+,18-14+

InChIKey: InChIKey=SNGVQSHWDGBVQH-BYKJUDHZSA-N

Formula: C22H36O4

Molecular Weight: 364.519677

Exact Mass: 364.26136

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Gross, H., Kehraus, S., Nett, M., Konig, G.M., Beil, W., Wright, A.D. Org Biomol Chem (2003) 1, 944-9

Species:

Notes: Family : Terpenoids, Type : Diterpenoids, Group : Cembranes; 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) 46.6
2 (CH2) 28.9
3 (CH) 123.9
4 (C) 135.3
5 (CH2) 35.7
6 (CH2) 33.2
7 (CH) 75.5
8 (C) 147.4
9 (CH2) 111.1
10 (CH) 191.3
11 (CH) 127.3
12 (C) 164.1
13 (CH2) 39.9
14 (CH2) 28.1
15 (C) 85.5
16 (CH3) 23.4
17 (CH3) 24
18 (CH3) 16.3
19 (CH3) 17.6
20 (CH3) 17.6
15a (C) 170.3
15b (CH3) 22.6