4-Methoxy-trans-cinnamic acid (1R)-4,4,8aalpha-trimethyl-5beta-hydroxy-7,8beta-diformyl-1,2,3,4,4abeta,5,8,8a-octahydronaphthalene-1alpha-yl ester

4-Methoxy-trans-cinnamic acid (1R)-4,4,8aalpha-trimethyl-5beta-hydroxy-7,8beta-diformyl-1,2,3,4,4abeta,5,8,8a-octahydronaphthalene-1alpha-yl ester

Common Name: 4-Methoxy-trans-cinnamic acid (1R)-4,4,8aalpha-trimethyl-5beta-hydroxy-7,8beta-diformyl-1,2,3,4,4abeta,5,8,8a-octahydronaphthalene-1alpha-yl ester

Synonyms: 4-Methoxy-trans-cinnamic acid (1R)-4,4,8aalpha-trimethyl-5beta-hydroxy-7,8beta-diformyl-1,2,3,4,4abeta,5,8,8a-octahydronaphthalene-1alpha-yl ester

CAS Registry Number:

InChI: InChI=1S/C25H30O6/c1-24(2)12-11-21(25(3)19(15-27)17(14-26)13-20(28)23(24)25)31-22(29)10-7-16-5-8-18(30-4)9-6-16/h5-10,13-15,19-21,23,28H,11-12H2,1-4H3/b10-7+/t19-,20+,21-,23+,25+/m1/s1

InChIKey: InChIKey=YWTPSTGVICXAEK-NWIQXGLUSA-N

Formula: C25H30O6

Molecular Weight: 426.50305

Exact Mass: 426.204239

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Fomekong-Fotsop, D., Roussi, F., Callonec, C.L., Bousserouel, H., Litaudon, M., Guéritte, F. Tetrahedron (2008) 64, 2192-7

Species:

Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Drimanes; 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) 77
2 (CH2) 24.1
3 (CH2) 40.1
4 (C) 33.1
5 (CH) 51.3
6 (CH) 68
7 (CH) 152.3
8 (C) 139.7
9 (CH) 54.1
10 (C) 44.4
11 (CH) 201.6
12 (CH) 192.4
13 (CH3) 35.5
14 (CH3) 22.6
15 (CH3) 17.3
1' (C) 166.3
2' (CH) 115.1
3' (CH) 145.4
4' (C) 126.8
5' (CH) 130
6' (CH) 114.4
7' (C) 161.6
8' (CH) 114.4
9' (CH) 130
7'a (CH3) 55.4