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

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

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

CAS Registry Number:

InChI: InChI=1S/C15H20O4/c1-6-4-10(17)13-8(3)15(18)19-14(13)12-7(2)5-9(16)11(6)12/h5,8-14,16-17H,1,4H2,2-3H3/t8-,9-,10-,11+,12-,13+,14+/m0/s1

InChIKey: InChIKey=LHEKNORJBDXZLE-ISCIKXKRSA-N

Formula: C15H20O4

Molecular Weight: 264.317473

Exact Mass: 264.136159

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) 55.5
2 (CH) 78.8
3 (CH) 126.6
4 (C) 147.1
5 (CH) 55
6 (CH) 80.6
7 (CH) 55
8 (CH) 74.8
9 (CH2) 46.8
10 (C) 142.5
11 (CH) 41
12 (C) 179.8
13 (CH3) 15.7
14 (CH2) 115
15 (CH3) 16.6