methyl (1E,3Z,6R,7R)-6,7-dimethyl-10-methylidene-6-[2-(5-oxo-2H-furan-3-yl)ethyl]cyclodeca-1,3-diene-1-carboxylate

methyl (1E,3Z,6R,7R)-6,7-dimethyl-10-methylidene-6-[2-(5-oxo-2H-furan-3-yl)ethyl]cyclodeca-1,3-diene-1-carboxylate

Common Name: methyl (1E,3Z,6R,7R)-6,7-dimethyl-10-methylidene-6-[2-(5-oxo-2H-furan-3-yl)ethyl]cyclodeca-1,3-diene-1-carboxylate

Synonyms: methyl (1E,3Z,6R,7R)-6,7-dimethyl-10-methylidene-6-[2-(5-oxo-2H-furan-3-yl)ethyl]cyclodeca-1,3-diene-1-carboxylate

CAS Registry Number:

InChI: InChI=1S/C21H28O4/c1-15-8-9-16(2)21(3,12-10-17-13-19(22)25-14-17)11-6-5-7-18(15)20(23)24-4/h5-7,13,16H,1,8-12,14H2,2-4H3/b6-5-,18-7+/t16-,21+/m1/s1

InChIKey: InChIKey=ZEYCJSDKNCCDKH-XGDYOGRISA-N

Formula: C21H28O4

Molecular Weight: 344.445415

Exact Mass: 344.198759

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Nagashima F., Asakawa Y. Phytochemistry (2001) 56, 347-52

Species:

Notes: Family : Terpenoids, Type : Diterpenoids, Group : Clerodanes; 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) 126.6
2 (CH) 128.4
3 (CH) 140.7
4 (C) 136.9
5 (C) 144.8
6 (CH2) 33.8
7 (CH2) 29.2
8 (CH) 35.5
9 (C) 37.8
10 (CH2) 35.6
11 (CH2) 34.7
12 (CH2) 23.6
13 (C) 170.9
14 (CH) 115.2
15 (C) 174
16 (CH2) 73
17 (CH3) 13.8
18 (C) 166.6
19 (CH2) 118.1
20 (CH3) 18.5
18a (CH3) 52.1