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AG008T3S

104987-16-8 | (3S,4R,8R,12S,14S,15R,16S,18R,19R,26aS)-8,11,12,13,14,15,16,17,18,19,24,25,26,26a-Tetradecahydro-19-hydroxy-3-[(1E)-2-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]-1-methylethenyl]-14,16-dimethoxy-4,10,12,18-tetramethyl-8-(2-propen-1-yl)-15,19-epoxy(5E,9E)-3H-pyrido[2,1-c][1,4]oxaazacyclotricosine-1,7,20,21(4H,23H)-tetrone

Chemical structure of (3S,4R,8R,12S,14S,15R,16S,18R,19R,26aS)-8,11,12,13,14,15,16,17,18,19,24,25,26,26a-Tetradecahydro-19-hydroxy-3-[(1E)-2-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]-1-methylethenyl]-14,16-dimethoxy-4,10,12,18-tetramethyl-8-(2-propen-1-yl)-15,19-epoxy(5E,9E)-3H-pyrido[2,1-c][1,4]oxaazacyclotricosine-1,7,20,21(4H,23H)-tetrone, CAS 104987-16-8
AG008T3S
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CAS Number 104987-16-8
Catalog Number AG008T3S(AGN-PC-0OU35D)
Chemical Name (3S,4R,8R,12S,14S,15R,16S,18R,19R,26aS)-8,11,12,13,14,15,16,17,18,19,24,25,26,26a-Tetradecahydro-19-hydroxy-3-[(1E)-2-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]-1-methylethenyl]-14,16-dimethoxy-4,10,12,18-tetramethyl-8-(2-propen-1-yl)-15,19-epoxy(5E,9E)-3H-pyrido[2,1-c][1,4]oxaazacyclotricosine-1,7,20,21(4H,23H)-tetrone
IUPAC Name (1R,9S,12S,13R,14E,17R,18E,21S,23S,24R,25S,27R)-1-hydroxy-12-[(E)-1-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]prop-1-en-2-yl]-23,25-dimethoxy-13,19,21,27-tetramethyl-17-prop-2-enyl-11,28-dioxa-4-azatricyclo[22.3.1.04,9]octacosa-14,18-diene-2,3,10,16-tetrone
InChI InChI=1S/C44H67NO11/c1-10-13-32-21-26(2)20-27(3)22-37(53-8)40-38(54-9)24-30(6)44(51,56-40)41(48)42(49)45-19-12-11-14-33(45)43(50)55-39(28(4)15-17-34(32)46)29(5)23-31-16-18-35(47)36(25-31)52-7/h10,15,17,21,23,27-28,30-33,35-40,47,51H,1,11-14,16,18-20,22,24-25H2,2-9H3/b17-15+,26-21+,29-23+/t27-,28+,30+,31-,32+,33-,35+,36+,37-,38-,39-,40+,44+/m0/s1
InChI Key PLHJNIVKYISEQW-ADGUVUBISA-N
MDL Number MFCD28358828
Molecular Formula C44H67NO11
Molecular Weight 786.0029
SMILES CO[C@@H]1C[C@@H](CC[C@H]1O)C=C(/C)[C@H]2OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@]4(O)O[C@H]([C@H](C[C@@H](C)CC(=C[C@@H](CC=C)C(=O)C=C[C@H]2C)C)OC)[C@H](C[C@H]4C)OC
UNII LOS6YV3B9N
Synonyms
UNII-LOS6YV3B9N, LOS6YV3B9N, Tacrolimus diene, delta23-FK-506, 23,24-Anhydro tacrolimus, 23,24-Anhydrotacrolimus, Tacrolimus impurity, tacrolimus diene- [USP], 104987-16-8, SCHEMBL15462582,

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    CERTIFICATE OF ANALYSIS
    Chemical Name: Batch Number:
    Chemical Structure: CAS Registry No:
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    Manufacture Date:
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    Test: Result:
    Conclusion: The above product meets the specifications of Angene.
    Analyst:Chase
    Date:
    Reviewed by:Jessie
    Date:
    Angene International Limited