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3-methoxy-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
STL528713
SMILES COC1=C(O[C@@H]2O[C@H](COC(=O)C)[C@H]([C@@H]([C@H]2OC(=O)C)OC(=O)C)O[C@H]2O[C@H](COC(=O)C)[C@H]([C@@H]([C@H]2OC(=O)C)OC(=O)C)OC(=O)C)C(=O)c2c(C1=O)cccc2

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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 C37H42O21 MW 822.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C37H42O21/c1-15(38)48-13-24-28(50-17(3)40)32(51-18(4)41)34(53-20(6)43)36(55-24)57-29-25(14-49-16(2)39)56-37(35(54-21(7)44)33(29)52-19(5)42)58-31-27(46)23-12-10-9-11-22(23)26(45)30(31)47-8/h9-12,24-25,28-29,32-37H,13-14H2,1-8H3/t24-,25-,28-,29-,32
InChIKey
AKPBFKMZYCIIQT-OLLDHBKNSA-N
Synonyms
956939-85-8
((2~(R)3~(R)4~(S)5~(R)6~(S))45diacetyloxy6(3methoxy14dioxonaphthalen2yl)oxy3((2~(R)3~(R)4~(S)5~(R)6~(R))345triacetyloxy6(acetyloxymethyl)oxan2yl)oxyoxan2yl)methylacetate
(2R3R4S5R6R)2(acetoxymethyl)6(((2R3R4S5R6S)45diacetoxy2(acetoxymethyl)6((3methoxy14dioxo14dihydronaphthalen2yl)oxy)tetrahydro2Hpyran3yl)oxy)tetrahydro2Hpyran345triyltriacetate
16395851
3methoxy14dioxo14dihydronaphthalen2yl236triOacetyl4O(2346tetraOacetylalphaDglucopyranosyl)betaDglucopyranoside
956939858
COC1=C(O(C@@H)2O(C@H)(COC(=O)C)(C@H)((C@@H)((C@H)2OC(=O)C)OC(=O)C)O(C@H)2O(C@H)(COC(=O)C)(C@H)((C@@H)((C@H)2OC(=O)C)OC(=O)C)OC(=O)C)C(=O)c2c(C1=O)cccc2
InChI=1SC37H42O21c115(38)48132428(5017(3)40)32(5118(4)41)34(5320(6)43)36(5524)572925(144916(2)39)5637(35(5421(7)44)33(29)5219(5)42)583127(46)23121091122(23)26(45)30(31)478h912242528293237H1314H218H3t2425282932+33+34353637+m1s1
MFCD01082420
ZINC000085867715
ZINC85867715

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Available files

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