6a-({4'-O-[9''Z-Hexadecenoyl]}-7'E-coumaryloxy)-eudesm-4(14)-ene

6a-({4'-O-[9''Z-Hexadecenoyl]}-7'E-coumaryloxy)-eudesm-4(14)-ene

Common Name: 6a-({4'-O-[9''Z-Hexadecenoyl]}-7'E-coumaryloxy)-eudesm-4(14)-ene

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C40H60O4/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-21-36(41)43-34-25-22-33(23-26-34)24-27-37(42)44-39-35(31(2)3)28-30-40(5)29-19-20-32(4)38(39)40/h11-12,22-27,31,35,38-39H,4,6-10,13-21,28-30H2,1-3,5H3/b12-11+,27-24+/t35-,38+,39-,40+/m0/s1

InChIKey: InChIKey=KUDWENOBBNRHJO-FRGNKGKPSA-N

Formula: C40H60O4

Molecular Weight: 604.903501

Exact Mass: 604.44916

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) 42.2
4 (C) 146.4
5 (CH) 56
6 (CH) 71.4
7 (CH) 49.7
8 (CH2) 18.4
9 (CH2) 38.1
10 (C) 38.2
11 (CH) 26.2
12 (CH3) 17.7
13 (CH3) 21.5
14 (CH3) 16.2
15 (CH2) 106.8
6a (C) 167.8
6b (CH) 116
6c (CH) 144.5
6d (C) 127.4
6e (CH) 130
6f (CH) 115.8
6g (C) 157.7
6h (CH) 115.8
6i (CH) 130
6ga (C) 179.4
6gb (CH2) 34
6gc (CH2) 24.7
6gd (CH2) 29.5
6ge (CH2) 29.5
6gf (CH2) 29.5
6gg (CH2) 31.9
6gh (CH2) 27.2
6gi (CH) 130.1
6gj (CH) 130.1
6gk (CH2) 27.2
6gl (CH2) 27.2
6gm (CH2) 31.9
6gn (CH2) 29.5
6go (CH2) 22.7
6gp (CH3) 14.2