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(2R,3S,4R,5R)-5-{4-methyl-5-[(1E)-3-(octyloxy)-3-oxoprop-1-en-1-yl]-2,6-dioxo-3,6-dihydropyrimidin-1(2H)-yl}tetrahydrofuran-2,3,4-triyl tribenzoate

Catalog ID
STK622818
SMILES CCCCCCCCOC(=O)/C=C/c1c(C)[nH]c(=O)n(c1=O)[C@@H]1O[C@@H]([C@H]([C@H]1OC(=O)c1ccccc1)OC(=O)c1ccccc1)OC(=O)c1ccccc1

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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 C41H42N2O11 MW 738.79 g/mol Purity >90% as per NMR
InChI
InChI=1S/C41H42N2O11/c1-3-4-5-6-7-17-26-50-32(44)25-24-31-27(2)42-41(49)43(35(31)45)36-33(51-37(46)28-18-11-8-12-19-28)34(52-38(47)29-20-13-9-14-21-29)40(53-36)54-39(48)30-22-15-10-16-23-30/h8-16,18-25,33-34,36,40H,3-7,17,26H2,1-2H3,(H,42,49)/b25-24+/t33-
InChIKey
SXBULBHXQDAZDK-RBWJYHTGSA-N
Synonyms
1268702-37-9
((2R3R4S5R)45dibenzoyloxy2(6methyl5((E)3octoxy3oxoprop1enyl)24dioxo1Hpyrimidin3yl)oxolan3yl)benzoate
(2R3S4R5R)5(4methyl5((1E)3(octyloxy)3oxoprop1en1yl)26dioxo36dihydropyrimidin1(2H)yl)tetrahydrofuran234triyltribenzoate
(2R3S4R5R)5(4methyl5((E)3(octyloxy)3oxoprop1en1yl)26dioxo23dihydropyrimidin1(6H)yl)tetrahydrofuran234triyltribenzoate
1268702379
CCCCCCCCOC(=O)C=CC1=C(NC(=O)N(C1=O)C2C(C(C(O2)OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)C
CCCCCCCCOC(=O)C=Cc1c(C)(nH)c(=O)n(c1=O)(C@@H)1O(C@@H)((C@H)((C@H)1OC(=O)c1ccccc1)OC(=O)c1ccccc1)OC(=O)c1ccccc1
InChI=1SC41H42N2O11c13456717265032(44)25243127(2)4241(49)43(35(31)45)3633(5137(46)2818118121928)34(5238(47)2920139142129)40(5336)5439(48)30221510162330h816182533343640H371726H212H3(H4249)b2524+t3334+3640m1s1
MFCD18246422
ZINC000150401820
ZINC150401820

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Available files

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