6alpha-(4'-Acetoxy-7'Z-coumaryloxy)eudesm-4(14)-ene

6alpha-(4'-Acetoxy-7'Z-coumaryloxy)eudesm-4(14)-ene

Common Name: 6alpha-(4'-Acetoxy-7'Z-coumaryloxy)eudesm-4(14)-ene

Synonyms: 6alpha-(4'-Acetoxy-7'Z-coumaryloxy)eudesm-4(14)-ene

CAS Registry Number:

InChI: InChI=1S/C26H34O4/c1-17(2)22-14-16-26(5)15-6-7-18(3)24(26)25(22)30-23(28)13-10-20-8-11-21(12-9-20)29-19(4)27/h8-13,17,22,24-25H,3,6-7,14-16H2,1-2,4-5H3/b13-10-/t22-,24+,25-,26+/m0/s1

InChIKey: InChIKey=NODAOWXEWQRHNU-FHGMYRJJSA-N

Formula: C26H34O4

Molecular Weight: 410.546739

Exact Mass: 410.24571

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) 24.3
3 (CH2) 42.2
4 (C) 146.4
5 (CH) 56
6 (CH) 71.6
7 (CH) 49.6
8 (CH2) 18.4
9 (CH2) 38.2
10 (C) 38.3
11 (CH) 26.2
12 (CH3) 17.6
13 (CH3) 21.4
14 (CH3) 16.2
15 (CH2) 118.8
6a (C) 167.1
6b (CH) 115.9
6c (CH) 143.5
6d (C) 132.4
6e (CH) 129.3
6f (CH) 122.1
6g (C) 152
6h (CH) 122.1
6i (CH) 129.3
6ga (C) 169.2
6gb (CH3) 21.2