(3aR)-3-Methylene-4beta-[[(Z)-2-methyl-2-butenoyl]oxy]-6,9-dimethyl-8beta,9beta-dihydroxy-2,3,3abeta,4,8,9,9abeta,9balpha-octahydroazuleno[4,5-b]furan-2-one

(3aR)-3-Methylene-4beta-[[(Z)-2-methyl-2-butenoyl]oxy]-6,9-dimethyl-8beta,9beta-dihydroxy-2,3,3abeta,4,8,9,9abeta,9balpha-octahydroazuleno[4,5-b]furan-2-one

Common Name: (3aR)-3-Methylene-4beta-[[(Z)-2-methyl-2-butenoyl]oxy]-6,9-dimethyl-8beta,9beta-dihydroxy-2,3,3abeta,4,8,9,9abeta,9balpha-octahydroazuleno[4,5-b]furan-2-one

Synonyms: (3aR)-3-Methylene-4beta-[[(Z)-2-methyl-2-butenoyl]oxy]-6,9-dimethyl-8beta,9beta-dihydroxy-2,3,3abeta,4,8,9,9abeta,9balpha-octahydroazuleno[4,5-b]furan-2-one

CAS Registry Number:

InChI: InChI=1S/C20H24O6/c1-6-9(2)18(22)25-13-7-10(3)12-8-14(21)20(5,24)16(12)17-15(13)11(4)19(23)26-17/h6-8,13-17,21,24H,4H2,1-3,5H3/b9-6-/t13-,14+,15+,16-,17-,20+/m0/s1

InChIKey: InChIKey=SJYDGZXOKGMLMZ-TVRYZHGKSA-N

Formula: C20H24O6

Molecular Weight: 360.401726

Exact Mass: 360.157289

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Piochon, M., Legault, J., Gauthier, C., Pichette, A. Phytochemistry (2009) 70, 228-36

Species:

Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Guaianes; 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 (C) 142.1
2 (CH) 132.4
3 (CH) 78.6
4 (C) 79.2
5 (CH) 57.9
6 (CH) 77
7 (CH) 48.5
8 (CH) 71.5
9 (CH) 128.3
10 (C) 130.6
11 (C) 135.9
12 (C) 169.1
13 (CH2) 123.9
14 (CH3) 24.8
15 (CH3) 20.6
8a (C) 166.7
8b (C) 126.8
8c (CH) 140.9
8d (CH3) 16
8e (CH3) 21.7