Methyl 9-(furan-3-yl)-2,7,13-trimethyl-4-oxo-10-oxatricyclo[5.3.3.01,6]trideca-5,8-diene-2-carboxylate

Methyl 9-(furan-3-yl)-2,7,13-trimethyl-4-oxo-10-oxatricyclo[5.3.3.01,6]trideca-5,8-diene-2-carboxylate

Common Name: Methyl 9-(furan-3-yl)-2,7,13-trimethyl-4-oxo-10-oxatricyclo[5.3.3.01,6]trideca-5,8-diene-2-carboxylate

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C21H24O5/c1-13-5-7-21-17(9-15(22)10-20(21,3)18(23)24-4)19(13,2)11-16(26-21)14-6-8-25-12-14/h6,8-9,11-13H,5,7,10H2,1-4H3/t13-,19+,20-,21-/m1/s1

InChIKey: InChIKey=VXAWMXLXZCKLAP-JTMTTYTKSA-N

Formula: C21H24O5

Molecular Weight: 356.413057

Exact Mass: 356.162374

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Kanlayavattanakul, M., Ruangrungsi, N., Watanabe, T., Kawahata, M., Therrien, B., Yamaguchi, K., Ishikawa, T. J Nat Prod (2005) 68, 7-10

Species:

Notes: Family : Terpenoids, Type : Diterpenoids, Group : Halimanes; 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) 121.8
2 (C) 196.4
3 (CH2) 45.5
4 (C) 51.4
5 (C) 79.5
6 (CH2) 31.7
7 (CH2) 26.5
8 (CH) 42.5
9 (C) 41.4
10 (C) 157.7
11 (CH) 103.2
12 (C) 146.2
13 (C) 121.3
14 (CH) 107.2
15 (CH) 143.2
16 (CH) 139.5
17 (CH3) 14.3
18 (C) 173.9
19 (CH3) 20.1
20 (CH3) 22.3
18a (CH3) 52.1