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)
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 |