(3R,3aS)-4'-(4-Methyl-3-pentenyl)-6alpha-methyl-6-vinyl-7alpha-isopropenyl-3abeta,4,5,6,7,7aalpha-hexahydrospiro[benzofuran-3(2H),1'-cyclohexane]-3'-ene-2-one

(3R,3aS)-4'-(4-Methyl-3-pentenyl)-6alpha-methyl-6-vinyl-7alpha-isopropenyl-3abeta,4,5,6,7,7aalpha-hexahydrospiro[benzofuran-3(2H),1'-cyclohexane]-3'-ene-2-one

Common Name: (3R,3aS)-4'-(4-Methyl-3-pentenyl)-6alpha-methyl-6-vinyl-7alpha-isopropenyl-3abeta,4,5,6,7,7aalpha-hexahydrospiro[benzofuran-3(2H),1'-cyclohexane]-3'-ene-2-one

Synonyms: (3R,3aS)-4'-(4-Methyl-3-pentenyl)-6alpha-methyl-6-vinyl-7alpha-isopropenyl-3abeta,4,5,6,7,7aalpha-hexahydrospiro[benzofuran-3(2H),1'-cyclohexane]-3'-ene-2-one

CAS Registry Number:

InChI: InChI=1S/C25H36O2/c1-7-24(6)14-13-20-22(21(24)18(4)5)27-23(26)25(20)15-11-19(12-16-25)10-8-9-17(2)3/h7,9,11,20-22H,1,4,8,10,12-16H2,2-3,5-6H3/t20-,21-,22+,24-,25+/m1/s1

InChIKey: InChIKey=XGQAJPWOJWNWTP-QZJHCZKLSA-N

Formula: C25H36O2

Molecular Weight: 368.553074

Exact Mass: 368.27153

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Appendino, G., Taglialatela-Scafati, O., Romano, A., Pollastro, F., Avonto, C., Rubiolo, P. J Nat Prod (2009) 72, 340-4

Species:

Notes: Family : Terpenoids, Type : Merosesquiterpenoids, Group : Elemanes; 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) 148.6
2 (CH2) 116.8
3 (CH2) 115.1
4 (C) 141.2
5 (CH) 56.6
6 (CH) 78.8
7 (CH) 54.5
8 (CH2) 23
9 (CH2) 40.1
10 (C) 42.6
11 (C) 44.7
12 (C) 181.7
13 (CH2) 30.5
14 (CH3) 18.6
15 (CH3) 24
1' (CH2) 26.5
2' (CH) 111.5
3' (C) 137.7
4' (CH2) 37.6
5' (CH2) 25.9
6' (CH) 124.2
7' (C) 131.7
8' (CH3) 18.2
9' (CH3) 26.2
10' (CH2) 24.8