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8-hydroxy-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
STL524572
SMILES CC(=O)OC[C@H]1O[C@@H](OC2=CC(=O)c3c(C2=O)c(O)ccc3)[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 C36H40O21 MW 808.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H40O21/c1-14(37)47-12-25-29(49-16(3)39)31(50-17(4)40)34(53-20(7)43)36(56-25)57-30-26(13-48-15(2)38)55-35(33(52-19(6)42)32(30)51-18(5)41)54-24-11-23(45)21-9-8-10-22(44)27(21)28(24)46/h8-11,25-26,29-36,44H,12-13H2,1-7H3/t25-,26-,29-,30-,31+,32+,
InChIKey
WIKRSTCSWJTWKN-UADUKJLGSA-N
Synonyms
145369-46-6
((2~(R)3~(R)4~(S)5~(R)6~(S))45diacetyloxy6(8hydroxy14dioxonaphthalen2yl)oxy3((2~(R)3~(R)4~(S)5~(R)6~(R))345triacetyloxy6(acetyloxymethyl)oxan2yl)oxyoxan2yl)methylacetate
(14DIHYDRO8HYDROXY14DIOXONAPHTHALEN)2YL2O2O3O3O4O6O6OHEPTAACETYLBETAMALTOSIDE
(2R3R4S5R6R)2(acetoxymethyl)6(((2R3R4S5R6S)45diacetoxy2(acetoxymethyl)6((8hydroxy14dioxo14dihydronaphthalen2yl)oxy)tetrahydro2Hpyran3yl)oxy)tetrahydro2Hpyran345triyltriacetate
145369466
14726960
8hydroxy14dioxo14dihydronaphthalen2yl236triOacetyl4O(2346tetraOacetylalphaDglucopyranosyl)betaDglucopyranoside
CC(=O)OC(C@H)1O(C@@H)(OC2=CC(=O)c3c(C2=O)c(O)ccc3)(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=1SC36H40O21c114(37)47122529(4916(3)39)31(5017(4)40)34(5320(7)43)36(5625)573026(134815(2)38)5535(33(5219(6)42)32(30)5118(5)41)54241123(45)21981022(44)27(21)28(24)46h8112526293644H1213H217H3t2526293031+32+33343536m1s1
MFCD01082605
ZINC000085867895
ZINC85867895

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Available files

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