Vitas-M small molecule compound
4-{5-(acetyloxy)-4-oxo-7-[(2,3,4,6-tetra-O-acetylhexopyranosyl)oxy]-4H-chromen-3-yl}benzene-1,2-diyl diacetate
Catalog ID
STL528729
SMILES CC(=O)OCC1OC(Oc2cc(OC(=O)C)c3c(c2)occ(c3=O)c2ccc(c(c2)OC(=O)C)OC(=O)C)C(C(C1OC(=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 C35H34O18 MW 742.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H34O18/c1-15(36)44-14-29-32(49-19(5)40)33(50-20(6)41)34(51-21(7)42)35(53-29)52-23-11-27-30(28(12-23)48-18(4)39)31(43)24(13-45-27)22-8-9-25(46-16(2)37)26(10-22)47-17(3)38/h8-13,29,32-35H,14H2,1-7H3InChIKey
WSMQBJMPWPNLTJ-UHFFFAOYSA-NSynonyms
(2S3R4S5R6R)2((5acetoxy3(34diacetoxyphenyl)4oxo4Hchromen7yl)oxy)6(acetoxymethyl)tetrahydro2Hpyran345triyltriacetate
(345TRIACETYLOXY6(5ACETYLOXY3(34DIACETYLOXYPHENYL)4OXOCHROMEN7YL)OXYOXAN2YL)METHYLACETATE
3349822
4(5(acetyloxy)4oxo7((2346tetraOacetylhexopyranosyl)oxy)4Hchromen3yl)benzene12diyldiacetate
CC(=O)OC(C@H)1O(C@@H)(Oc2cc(OC(=O)C)c3c(c2)occ(c3=O)c2ccc(c(c2)OC(=O)C)OC(=O)C)(C@@H)((C@H)((C@@H)1OC(=O)C)OC(=O)C)OC(=O)C
InChI=1SC35H34O18c115(36)44142932(4919(5)40)33(5020(6)41)34(5121(7)42)35(5329)5223112730(28(1223)4818(4)39)31(43)24(134527)228925(4616(2)37)26(1022)4717(3)38h813293235H14H217H3
MFCD05725882
OROBOLE7OGLUCOSIDEACETATE
ZINC000253617080
ZINC000253617081
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.