(3S)-3abeta,4,5,6,6abeta,7,9abeta,9balpha-Octahydro-3beta,9-dimethyl-4beta-acetoxy-7beta-hydroxy-6-methyleneazuleno[4,5-b]furan-2(3H)-one

(3S)-3abeta,4,5,6,6abeta,7,9abeta,9balpha-Octahydro-3beta,9-dimethyl-4beta-acetoxy-7beta-hydroxy-6-methyleneazuleno[4,5-b]furan-2(3H)-one

Common Name: (3S)-3abeta,4,5,6,6abeta,7,9abeta,9balpha-Octahydro-3beta,9-dimethyl-4beta-acetoxy-7beta-hydroxy-6-methyleneazuleno[4,5-b]furan-2(3H)-one

Synonyms: (3S)-3abeta,4,5,6,6abeta,7,9abeta,9balpha-Octahydro-3beta,9-dimethyl-4beta-acetoxy-7beta-hydroxy-6-methyleneazuleno[4,5-b]furan-2(3H)-one

CAS Registry Number:

InChI: InChI=1S/C17H22O5/c1-7-5-11(19)13-8(2)6-12(21-10(4)18)15-9(3)17(20)22-16(15)14(7)13/h5,9,11-16,19H,2,6H2,1,3-4H3/t9-,11-,12-,13+,14-,15+,16+/m0/s1

InChIKey: InChIKey=BQUVRDVKRPQXAJ-GZDTUDRRSA-N

Formula: C17H22O5

Molecular Weight: 306.354231

Exact Mass: 306.146724

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Glasl, S., Presser, A., Werner, I., Wawrosch, C., Kastner, U., Jurenitsch, J., Haslinger, E., Kubelka, W. Phytochemistry (1999) 50, 629-31

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 (CH) 57.5
2 (CH) 79.5
3 (CH) 129.5
4 (C) 145.9
5 (CH) 55.7
6 (CH) 80.7
7 (CH) 53
8 (CH) 75.9
9 (CH2) 41.5
10 (C) 140.9
11 (CH) 40.8
12 (C) 177.7
13 (CH3) 15.6
14 (CH2) 117.3
15 (CH3) 17.2
8a (C) 170.1
8b (CH3) 21.1