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

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

CAS Registry Number:

InChI: InChI=1S/C25H34O6/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/h5-10,13,19-21,23,26-28H,11-12,14-15H2,1-4H3/b10-7+/t19-,20-,21+,23-,25-/m0/s1

InChIKey: InChIKey=QFEAFXLUCRFVIJ-ZFLWQVEISA-N

Formula: C25H34O6

Molecular Weight: 430.534813

Exact Mass: 430.235539

NMR Solvent: DMSO-d6

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) 81.3
2 (CH2) 24.9
3 (CH2) 40
4 (C) 32.9
5 (CH) 55.3
6 (CH) 66.4
7 (CH) 128.9
8 (C) 137.4
9 (CH) 53
10 (C) 42.2
11 (CH2) 59.6
12 (CH2) 63.1
13 (CH3) 35.9
14 (CH3) 22.6
15 (CH3) 11.4
1' (C) 165.8
2' (CH) 116.2
3' (CH) 143.9
4' (C) 126.7
5' (CH) 130.1
6' (CH) 114.3
7' (C) 161.1
8' (CH) 114.3
9' (CH) 130.1
7'a (CH3) 55.2