(1S,2S,3S,4R,5R,6R,7S,8R,9R,10R,12R)-6,10-Bis(acetoxymethyl)-2-hydroxy-2,10-dimethyl-11-oxatricyclo[7.2.1.01,6]dodecane-3,4,5,7,8,12-hexayl hexaacetate

(1S,2S,3S,4R,5R,6R,7S,8R,9R,10R,12R)-6,10-Bis(acetoxymethyl)-2-hydroxy-2,10-dimethyl-11-oxatricyclo[7.2.1.01,6]dodecane-3,4,5,7,8,12-hexayl hexaacetate

Common Name: (1S,2S,3S,4R,5R,6R,7S,8R,9R,10R,12R)-6,10-Bis(acetoxymethyl)-2-hydroxy-2,10-dimethyl-11-oxatricyclo[7.2.1.01,6]dodecane-3,4,5,7,8,12-hexayl hexaacetate

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C31H42O18/c1-13(32)41-11-28(9)21-22(43-15(3)34)26(47-19(7)38)30(12-42-14(2)33)27(48-20(8)39)23(44-16(4)35)25(46-18(6)37)29(10,40)31(30,49-28)24(21)45-17(5)36/h21-27,40H,11-12H2,1-10H3/t21-,22-,23+,24-,25+,26-,27+,28+,29+,30-,31+/m1/s1

InChIKey: InChIKey=MUWCHFQJODKQEP-HUUJPQFISA-N

Formula: C31H42O18

Molecular Weight: 702.655613

Exact Mass: 702.237115

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Nunez M.J., Cortes-Selva F., Bazzocchi I.L., Jimenez I.A., Gonzalez A.G., Ravelo A.G., Gavin J.A. J Nat Prod (2003) 66, 572-4

Species:

Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Agarofurans; 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) 73.13
2 (CH) 69.01
3 (CH) 75.83
4 (C) 69.29
5 (C) 92.93
6 (CH) 73.93
7 (CH) 50.71
8 (CH) 68.96
9 (CH) 70.95
10 (C) 51.9
11 (C) 84.04
12 (CH3) 69.43
13 (CH2) 18.3
14 (CH3) 23.25
15 (CH2) 60.28
1a (C) 169.3
1b (CH3) 20.5
2a (C) 168.68
2b (CH3) 20.8
3a (C) 169.5
3b (CH3) 20.83
6a (C) 169.8
6b (CH3) 20.96
8a (C) 170.03
8b (CH3) 20.96
9a (C) 168.9
9b (CH3) 20.46
13a (C) 170.7
13b (CH3) 21.44
15a (C) 170.1
15b (CH3) 21.22