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1,4-dihydroxy-7-methoxy-6-methyl-5,8-dioxo-3-[(2,3,4,6-tetra-O-acetyl-beta-L-glucopyranosyl)thio]-5,8-dihydronaphthalen-2-yl 2,3,4,6-tetra-O-acetyl-1-thio-beta-D-glucopyranoside

Catalog ID
STL525607
SMILES COC1=C(C)C(=O)c2c(C1=O)c(O)c(c(c2O)S[C@H]1O[C@@H](COC(=O)C)[C@@H]([C@H]([C@@H]1OC(=O)C)OC(=O)C)OC(=O)C)S[C@@H]1O[C@H](COC(=O)C)[C@H]([C@@H]([C@H]1OC(=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 C40H46O23S2 MW 958.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C40H46O23S2/c1-13-26(49)24-25(27(50)30(13)53-10)29(52)38(65-40-36(61-21(9)48)34(59-19(7)46)32(57-17(5)44)23(63-40)12-55-15(3)42)37(28(24)51)64-39-35(60-20(8)47)33(58-18(6)45)31(56-16(4)43)22(62-39)11-54-14(2)41/h22-23,31-36,39-40,51-52H,11-12H2,1
InChIKey
MPZZMFJRWCJZJD-FHJGJLISSA-N
Synonyms

((2~(S)3~(S)4~(R)5~(S)6~(R))345triacetyloxy6(14dihydroxy6methoxy7methyl58dioxo3((2~(S)3~(R)4~(S)5~(R)6~(R))345triacetyloxy6(acetyloxymethyl)oxan2yl)sulfanylnaphthalen2yl)sulfanyloxan2yl)methylacetate
(2S3S4R5S6R)2(acetoxymethyl)6((14dihydroxy6methoxy7methyl58dioxo3(((2S3R4S5R6R)345triacetoxy6(acetoxymethyl)tetrahydro2Hpyran2yl)thio)58dihydronaphthalen2yl)thio)tetrahydro2Hpyran345triyltriacetate
135623690
14dihydroxy7methoxy6methyl58dioxo3((2346tetraOacetylbetaLglucopyranosyl)thio)58dihydronaphthalen2yl2346tetraOacetyl1thiobetaDglucopyranoside
COC1=C(C)C(=O)c2c(C1=O)c(O)c(c(c2O)S(C@H)1O(C@@H)(COC(=O)C)(C@@H)((C@H)((C@@H)1OC(=O)C)OC(=O)C)OC(=O)C)S(C@@H)1O(C@H)(COC(=O)C)(C@H)((C@@H)((C@H)1OC(=O)C)OC(=O)C)OC(=O)C
InChI=1SC40H46O23S2c11326(49)2425(27(50)30(13)5310)29(52)38(654036(6121(9)48)34(5919(7)46)32(5717(5)44)23(6340)125515(3)42)37(28(24)51)643935(6020(8)47)33(5818(6)45)31(5616(4)43)22(6239)115414(2)41h2223313639405152H1112H2110H3t2223+3132+33+343536+39+
MFCD01083969
ZINC000217348976
ZINC217348976

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Available files

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