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3-methyl-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
STL565453
SMILES CC(=O)OC[C@H]1O[C@@H](OC2=C(C)C(=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 C37H42O20 MW 806.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C37H42O20/c1-15-27(45)23-11-9-10-12-24(23)28(46)29(15)56-36-35(53-22(8)44)33(51-20(6)42)31(26(55-36)14-48-17(3)39)57-37-34(52-21(7)43)32(50-19(5)41)30(49-18(4)40)25(54-37)13-47-16(2)38/h9-12,25-26,30-37H,13-14H2,1-8H3/t25-,26-,30-,31-,32+,33+,34-
InChIKey
DZWQPAFWILBODA-XYKCXXCOSA-N
Synonyms
105380-79-8
((2R3R4S5R6S)45diacetyloxy6(3methyl14dioxonaphthalen2yl)oxy3((2R3R4S5R6R)345triacetyloxy6(acetyloxymethyl)oxan2yl)oxyoxan2yl)methylacetate
(2R3R4S5R6R)2(acetoxymethyl)6(((2R3R4S5R6S)45diacetoxy2(acetoxymethyl)6((3methyl14dioxo14dihydronaphthalen2yl)oxy)tetrahydro2Hpyran3yl)oxy)tetrahydro2Hpyran345triyltriacetate
105380798
16396037
3methyl14dioxo14dihydronaphthalen2yl236triOacetyl4O(2346tetraOacetylalphaDglucopyranosyl)betaDglucopyranoside
CC(=O)OC(C@H)1O(C@@H)(OC2=C(C)C(=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=1SC37H42O20c11527(45)23119101224(23)28(46)29(15)563635(5322(8)44)33(5120(6)42)31(26(5536)144817(3)39)573734(5221(7)43)32(5019(5)41)30(4918(4)40)25(5437)134716(2)38h91225263037H1314H218H3t2526303132+33+343536+37m1s1
MFCD32651680
ZINC000085867946

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Available files

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