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

Catalog ID
STL526279
SMILES OC[C@H]1O[C@@H](Oc2ccc3c(c2)oc(c(c3=O)c2ccc3c(c2)OCCCO3)C)[C@@H]([C@H]([C@@H]1O)O)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 C27H29NO10 MW 527.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H29NO10/c1-13-22(15-4-7-18-20(10-15)35-9-3-8-34-18)24(31)17-6-5-16(11-19(17)36-13)37-27-23(28-14(2)30)26(33)25(32)21(12-29)38-27/h4-7,10-11,21,23,25-27,29,32-33H,3,8-9,12H2,1-2H3,(H,28,30)/t21-,23-,25-,26-,27-/m1/s1
InChIKey
FFFOTTKAGAJIFY-PYOVJYMUSA-N
Synonyms
388582-68-1
~(N)((2~(S)3~(R)4~(R)5~(S)6~(R))2(3(34dihydro2~(H)15benzodioxepin7yl)2methyl4oxochromen7yl)oxy45dihydroxy6(hydroxymethyl)oxan3yl)acetamide
12044181
3(34dihydro2H15benzodioxepin7yl)2methyl4oxo4Hchromen7yl2(acetylamino)2deoxybetaDglucopyranoside
388582681
InChI=1SC27H29NO10c11322(15471820(1015)359383418)24(31)176516(1119(17)3613)372723(2814(2)30)26(33)25(32)21(1229)3827h47101121232527293233H38912H212H3(H2830)t2123252627m1s1
MFCD02924912
N((2S3R4R5S6R)2((3(34dihydro2Hbenzo(b)(14)dioxepin7yl)2methyl4oxo4Hchromen7yl)oxy)45dihydroxy6(hydroxymethyl)tetrahydro2Hpyran3yl)acetamide
OC(C@H)1O(C@@H)(Oc2ccc3c(c2)oc(c(c3=O)c2ccc3c(c2)OCCCO3)C)(C@@H)((C@H)((C@@H)1O)O)NC(=O)C
ZINC000070670145
ZINC70670145

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Available files

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