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

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

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

Synonyms: Acetic acid (4E)-1,1,5,9-tetramethyl-8-hydroxy-2-[(Z)-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-HOECKACNSA-N

Formula: C22H36O4

Molecular Weight: 364.519677

Exact Mass: 364.26136

NMR Solvent: C+C

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) 47.2
2 (CH2) 29
3 (CH) 123.6
4 (C) 135.8
5 (CH2) 35.7
6 (CH2) 33.2
7 (CH) 75.5
8 (C) 147.4
9 (CH2) 111
10 (CH) 190.8
11 (CH) 128.1
12 (C) 164.8
13 (CH2) 39.9
14 (CH2) 28.1
15 (C) 85.4
16 (CH3) 23.3
17 (CH3) 24
18 (CH3) 16.3
19 (CH3) 17.6
20 (CH3) 22.6
15a (C) 170.3
15b (CH3) 22.6