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1,4-dioxo-1,4-dihydronaphthalen-2-yl 2,3,6-tri-O-acetyl-4-O-(2,3,4,6-tetra-O-acetyl-alpha-D-glucopyranosyl)-beta-D-glucopyranoside

Catalog ID
STL524862
SMILES CC(=O)OC[C@H]1O[C@@H](OC2=CC(=O)c3c(C2=O)cccc3)[C@@H]([C@H]([C@@H]1O[C@H]1O[C@H](COC(=O)C)[C@H]([C@@H]([C@H]1OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C

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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.

We do not supply quantities above 5 g.

Structure and other identifiers

2D representation rendered from the SMILES, with core physicochemical data.
Formula C36H40O20 MW 792.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H40O20/c1-15(37)46-13-26-29(48-17(3)39)31(49-18(4)40)34(52-21(7)43)36(55-26)56-30-27(14-47-16(2)38)54-35(33(51-20(6)42)32(30)50-19(5)41)53-25-12-24(44)22-10-8-9-11-23(22)28(25)45/h8-12,26-27,29-36H,13-14H2,1-7H3/t26-,27-,29-,30-,31+,32+,33-,34
InChIKey
DEYFVOXDNWADAV-WSBRPGETSA-N
Synonyms
105380-78-7
((2~(R)3~(R)4~(S)5~(R)6~(S))45diacetyloxy6(14dioxonaphthalen2yl)oxy3((2~(R)3~(R)4~(S)5~(R)6~(R))345triacetyloxy6(acetyloxymethyl)oxan2yl)oxyoxan2yl)methylacetate
(2R3R4S5R6R)2(acetoxymethyl)6(((2R3R4S5R6S)45diacetoxy2(acetoxymethyl)6((14dioxo14dihydronaphthalen2yl)oxy)tetrahydro2Hpyran3yl)oxy)tetrahydro2Hpyran345triyltriacetate
105380787
14dioxo14dihydronaphthalen2yl236triOacetyl4O(2346tetraOacetylalphaDglucopyranosyl)betaDglucopyranoside
16395965
CC(=O)OC(C@H)1O(C@@H)(OC2=CC(=O)c3c(C2=O)cccc3)(C@@H)((C@H)((C@@H)1O(C@H)1O(C@H)(COC(=O)C)(C@H)((C@@H)((C@H)1OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C
InChI=1SC36H40O20c115(37)46132629(4817(3)39)31(4918(4)40)34(5221(7)43)36(5526)563027(144716(2)38)5435(33(5120(6)42)32(30)5019(5)41)53251224(44)2210891123(22)28(25)45h81226272936H1314H217H3t2627293031+32+33343536m1s1
MFCD01083677
ZINC000085867919
ZINC85867919

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Available files

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