(3S)-3abeta,4,5,7,8,9,9abeta,9balpha-Octahydro-3beta,6,9-trimethyl-4beta,7beta,9beta-trihydroxy-8beta-acetoxyazuleno[4,5-b]furan-2(3H)-one

(3S)-3abeta,4,5,7,8,9,9abeta,9balpha-Octahydro-3beta,6,9-trimethyl-4beta,7beta,9beta-trihydroxy-8beta-acetoxyazuleno[4,5-b]furan-2(3H)-one

Common Name: (3S)-3abeta,4,5,7,8,9,9abeta,9balpha-Octahydro-3beta,6,9-trimethyl-4beta,7beta,9beta-trihydroxy-8beta-acetoxyazuleno[4,5-b]furan-2(3H)-one

Synonyms: (3S)-3abeta,4,5,7,8,9,9abeta,9balpha-Octahydro-3beta,6,9-trimethyl-4beta,7beta,9beta-trihydroxy-8beta-acetoxyazuleno[4,5-b]furan-2(3H)-one

CAS Registry Number:

InChI: InChI=1S/C17H24O7/c1-6-5-9(19)11-7(2)16(21)24-14(11)12-10(6)13(20)15(17(12,4)22)23-8(3)18/h7,9,11-15,19-20,22H,5H2,1-4H3/t7-,9-,11+,12-,13+,14-,15+,17-/m0/s1

InChIKey: InChIKey=DPUKTTDVKVUSCJ-GAMGDRKUSA-N

Formula: C17H24O7

Molecular Weight: 340.368923

Exact Mass: 340.152203

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) 137.8
2 (CH) 75.9
3 (CH) 82.4
4 (C) 79.9
5 (CH) 56.7
6 (CH) 78.7
7 (CH) 53.6
8 (CH) 71.3
9 (CH2) 41.7
10 (C) 131.3
11 (CH) 39.8
12 (C) 178.1
13 (CH3) 15.2
14 (CH3) 23.2
15 (CH3) 21.8
3a (C) 169.6
3b (CH3) 21