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3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-4-oxo-4H-chromen-7-yl 3,4,6-tri-O-acetyl-2-(acetylamino)-2-deoxy-beta-D-glucopyranoside

Catalog ID
STL526130
SMILES CC(=O)OC[C@H]1O[C@@H](Oc2ccc3c(c2)oc(c(c3=O)c2ccc3c(c2)OCCCO3)C)[C@@H]([C@H]([C@@H]1OC(=O)C)OC(=O)C)NC(=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 C33H35NO13 MW 653.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H35NO13/c1-16-28(21-7-10-24-26(13-21)41-12-6-11-40-24)30(39)23-9-8-22(14-25(23)43-16)46-33-29(34-17(2)35)32(45-20(5)38)31(44-19(4)37)27(47-33)15-42-18(3)36/h7-10,13-14,27,29,31-33H,6,11-12,15H2,1-5H3,(H,34,35)/t27-,29-,31-,32-,33-/m1/s1
InChIKey
QDJSDLWLSPZZTC-BZTKZSPSSA-N
Synonyms
388582-66-9
((2~(R)3~(S)4~(R)5~(R)6~(S))5acetamido34diacetyloxy6(3(34dihydro2~(H)15benzodioxepin7yl)2methyl4oxochromen7yl)oxyoxan2yl)methylacetate
(2R3S4R5R6S)5acetamido2(acetoxymethyl)6((3(34dihydro2Hbenzo(b)(14)dioxepin7yl)2methyl4oxo4Hchromen7yl)oxy)tetrahydro2Hpyran34diyldiacetate
16397206
3(34dihydro2H15benzodioxepin7yl)2methyl4oxo4Hchromen7yl346triOacetyl2(acetylamino)2deoxybetaDglucopyranoside
388582669
CC(=O)OC(C@H)1O(C@@H)(Oc2ccc3c(c2)oc(c(c3=O)c2ccc3c(c2)OCCCO3)C)(C@@H)((C@H)((C@@H)1OC(=O)C)OC(=O)C)NC(=O)C
InChI=1SC33H35NO13c11628(217102426(1321)41126114024)30(39)239822(1425(23)4316)463329(3417(2)35)32(4520(5)38)31(4419(4)37)27(4733)154218(3)36h710131427293133H6111215H215H3(H3435)t2729313233m1s1
MFCD02925219
ZINC000079204555
ZINC79204555

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Available files

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