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5,8-dihydroxy-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
STL525431
SMILES CC(=O)OC[C@H]1O[C@@H](OC2=CC(=O)c3c(C2=O)c(O)ccc3O)[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 C36H40O22 MW 824.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H40O22/c1-13(37)48-11-24-29(50-15(3)39)31(51-16(4)40)34(54-19(7)43)36(57-24)58-30-25(12-49-14(2)38)56-35(33(53-18(6)42)32(30)52-17(5)41)55-23-10-22(46)26-20(44)8-9-21(45)27(26)28(23)47/h8-10,24-25,29-36,44-45H,11-12H2,1-7H3/t24-,25-,29-,30-,31
InChIKey
NGROIZSHBGXMTB-HSWSVMBKSA-N
Synonyms
161713-62-8
((2~(R)3~(R)4~(S)5~(R)6~(S))45diacetyloxy6(58dihydroxy14dioxonaphthalen2yl)oxy3((2~(R)3~(R)4~(S)5~(R)6~(R))345triacetyloxy6(acetyloxymethyl)oxan2yl)oxyoxan2yl)methylacetate
(2R3R4S5R6R)2(acetoxymethyl)6(((2R3R4S5R6S)45diacetoxy2(acetoxymethyl)6((58dihydroxy14dioxo14dihydronaphthalen2yl)oxy)tetrahydro2Hpyran3yl)oxy)tetrahydro2Hpyran345triyltriacetate
161713628
16395790
58dihydroxy14dioxo14dihydronaphthalen2yl236triOacetyl4O(2346tetraOacetylalphaDglucopyranosyl)betaDglucopyranoside
CC(=O)OC(C@H)1O(C@@H)(OC2=CC(=O)c3c(C2=O)c(O)ccc3O)(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=1SC36H40O22c113(37)48112429(5015(3)39)31(5116(4)40)34(5419(7)43)36(5724)583025(124914(2)38)5635(33(5318(6)42)32(30)5217(5)41)55231022(46)2620(44)8921(45)27(26)28(23)47h810242529364445H1112H217H3t2425293031+32+33343536m1s1
MFCD01083617
ZINC000085867620
ZINC85867620

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Available files

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