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[(3R,6S)-3,4,5-tris(acetyloxy)-6-[(1,4,6,7-tetrahydroxy-5,8-dioxo-3-{[(2S,5R)-3,4,5-tris(acetyloxy)-6-[(acetyloxy)methyl]oxan-2-yl]sulfanyl}-5,8-dihydronaphthalen-2-yl)sulfanyl]oxan-2-yl]methyl acetate

Catalog ID
STL565424
SMILES CC(=O)OCC1O[C@@H](Sc2c(S[C@@H]3OC(COC(=O)C)[C@@H](C(C3OC(=O)C)OC(=O)C)OC(=O)C)c(O)c3c(c2O)C(=O)C(=C(C3=O)O)O)C(C([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 C38H42O24S2 MW 946.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C38H42O24S2/c1-11(39)53-9-19-29(55-13(3)41)31(57-15(5)43)33(59-17(7)45)37(61-19)63-35-25(49)21-22(24(48)28(52)27(51)23(21)47)26(50)36(35)64-38-34(60-18(8)46)32(58-16(6)44)30(56-14(4)42)20(62-38)10-54-12(2)40/h19-20,29-34,37-38,49-52H,9-10H2,1-8H3
InChIKey
NLVYWUINCSLUED-HQMFFBOISA-N
Synonyms

((3R6S)345triacetyloxy6(1467tetrahydroxy58dioxo3((2S5R)345triacetyloxy6(acetyloxymethyl)oxan2yl)sulfanylnaphthalen2yl)sulfanyloxan2yl)methylacetate
((3R6S)345tris(acetyloxy)6((1467tetrahydroxy58dioxo3(((2S5R)345tris(acetyloxy)6((acetyloxy)methyl)oxan2yl)sulfanyl)58dihydronaphthalen2yl)sulfanyl)oxan2yl)methylacetate
135897936
CC(=O)OCC1O(C@@H)(Sc2c(S(C@@H)3OC(COC(=O)C)(C@H)(C(C3OC(=O)C)OC(=O)C)OC(=O)C)c(O)c3c(c2O)C(=O)C(=C(C3=O)O)O)C(C((C@@H)1OC(=O)C)OC(=O)C)OC(=O)C
InChI=1SC38H42O24S2c111(39)5391929(5513(3)41)31(5715(5)43)33(5917(7)45)37(6119)633525(49)2122(24(48)28(52)27(51)23(21)47)26(50)36(35)643834(6018(8)46)32(5816(6)44)30(5614(4)42)20(6238)105412(2)40h1920293437384952H910H218H3t19?20?293031?32?33?34?37+38
MFCD32651663
ZINC000224875525
ZINC000253387779

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Available files

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