(3S)-3abeta,4,8,9,9abeta,9balpha-Hexahydro-3beta,6,9-trimethyl-8beta,9beta-dihydroxy-4beta-acetoxyazuleno[4,5-b]furan-2(3H)-one

(3S)-3abeta,4,8,9,9abeta,9balpha-Hexahydro-3beta,6,9-trimethyl-8beta,9beta-dihydroxy-4beta-acetoxyazuleno[4,5-b]furan-2(3H)-one

Common Name: (3S)-3abeta,4,8,9,9abeta,9balpha-Hexahydro-3beta,6,9-trimethyl-8beta,9beta-dihydroxy-4beta-acetoxyazuleno[4,5-b]furan-2(3H)-one

Synonyms: (3S)-3abeta,4,8,9,9abeta,9balpha-Hexahydro-3beta,6,9-trimethyl-8beta,9beta-dihydroxy-4beta-acetoxyazuleno[4,5-b]furan-2(3H)-one

CAS Registry Number:

InChI: InChI=1S/C17H22O6/c1-7-5-11(22-9(3)18)13-8(2)16(20)23-15(13)14-10(7)6-12(19)17(14,4)21/h5-6,8,11-15,19,21H,1-4H3/t8-,11-,12+,13+,14-,15-,17+/m0/s1

InChIKey: InChIKey=UGJBTBFGJQDGTP-JAJXFNKLSA-N

Formula: C17H22O6

Molecular Weight: 322.353636

Exact Mass: 322.141638

NMR Solvent: DMSO-d6

MHz:

Calibration:

NMR references: 13C - Segal, R., Eden, L., Danin, A., Kaiser, M., Duddeck, H. Phytochemistry (1984) 23, 2954-6

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) 140.7
2 (CH) 129.3
3 (CH) 77.9
4 (C) 78.2
5 (CH) 57.8
6 (CH) 76.9
7 (CH) 52.4
8 (CH) 73.4
9 (CH) 133.3
10 (C) 130.2
11 (CH) 39.9
12 (C) 178.3
13 (CH3) 15.3
14 (CH3) 24.6
15 (CH3) 21.9
8a (C) 168.9
8b (CH3) 21