6alpha-(4'-O-methyl-7'E-coumaryloxy)eudesm-4(14)-ene

6alpha-(4'-O-methyl-7'E-coumaryloxy)eudesm-4(14)-ene

Common Name: 6alpha-(4'-O-methyl-7'E-coumaryloxy)eudesm-4(14)-ene

Synonyms: 6alpha-(4'-O-methyl-7'E-coumaryloxy)eudesm-4(14)-ene

CAS Registry Number:

InChI: InChI=1S/C25H34O3/c1-17(2)21-14-16-25(4)15-6-7-18(3)23(25)24(21)28-22(26)13-10-19-8-11-20(27-5)12-9-19/h8-13,17,21,23-24H,3,6-7,14-16H2,1-2,4-5H3/b13-10+/t21-,23+,24-,25+/m0/s1

InChIKey: InChIKey=PIGCDLQMEKUJAC-IBZVUWSZSA-N

Formula: C25H34O3

Molecular Weight: 382.536598

Exact Mass: 382.250795

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Chaturvedula, V.S., Farooq, A., Schilling, J.K., Malone, S., Derveld, I., Werkhoven, M.C., Wisse, J.H., Ratsimbason, M., Kingston, D.G. J Nat Prod (2004) 67, 2053-7

Species:

Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Eudesmanes; 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 (CH2) 40.3
2 (CH2) 24.2
3 (CH2) 42.3
4 (C) 146.4
5 (CH) 56
6 (CH) 71.2
7 (CH) 49.7
8 (CH2) 18.4
9 (CH2) 38.2
10 (C) 38.3
11 (CH) 26.2
12 (CH3) 17.7
13 (CH3) 21.5
14 (CH3) 16.2
15 (CH2) 106.9
6a (C) 167.5
6b (CH) 116.2
6c (CH) 144.3
6d (C) 127.4
6e (CH) 129.8
6f (CH) 114.3
6g (C) 161.3
6h (CH) 114.3
6i (CH) 129.8
6ga (CH3) 55.4