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1,4-dioxo-3-[(2,3,4-tri-O-acetyl-beta-D-xylopyranosyl)thio]-1,4-dihydronaphthalen-2-yl (2xi)-2,3,4-tri-O-acetyl-1-thio-beta-D-threo-pentopyranoside

Catalog ID
STL553383
SMILES CC(=O)OC1[C@@H](OC[C@H]([C@@H]1OC(=O)C)OC(=O)C)SC1=C(S[C@@H]2OC[C@H]([C@@H]([C@H]2OC(=O)C)OC(=O)C)OC(=O)C)C(=O)c2c(C1=O)cccc2

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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 C32H34O16S2 MW 738.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H34O16S2/c1-13(33)43-21-11-41-31(27(47-17(5)37)25(21)45-15(3)35)49-29-23(39)19-9-7-8-10-20(19)24(40)30(29)50-32-28(48-18(6)38)26(46-16(4)36)22(12-42-32)44-14(2)34/h7-10,21-22,25-28,31-32H,11-12H2,1-6H3/t21-,22-,25+,26+,27-,28?,31+,32+/m1/s1
InChIKey
JOJYOGRKKXMLGS-FUOGFKNXSA-N
Synonyms

((3~(R)4~(S)6~(S))45diacetyloxy6(14dioxo3((2~(S)3~(R)4~(S)5~(R))345triacetyloxyoxan2yl)sulfanylnaphthalen2yl)sulfanyloxan3yl)acetate
(2S4S5R)2((14dioxo3(((2S3R4S5R)345triacetoxytetrahydro2Hpyran2yl)thio)14dihydronaphthalen2yl)thio)tetrahydro2Hpyran345triyltriacetate
14dioxo3((234triOacetylbetaDxylopyranosyl)thio)14dihydronaphthalen2yl(2xi)234triOacetyl1thiobetaDthreopentopyranoside
16406188
CC(=O)OC1(C@@H)(OC(C@H)((C@@H)1OC(=O)C)OC(=O)C)SC1=C(S(C@@H)2OC(C@H)((C@@H)((C@H)2OC(=O)C)OC(=O)C)OC(=O)C)C(=O)c2c(C1=O)cccc2
InChI=1SC32H34O16S2c113(33)4321114131(27(4717(5)37)25(21)4515(3)35)492923(39)199781020(19)24(40)30(29)503228(4818(6)38)26(4616(4)36)22(124232)4414(2)34h710212225283132H1112H216H3t212225+26+2728?31+32+m1s1
ZINC000085911550
ZINC000085911554

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Available files

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