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AG009E9S

131944-48-4 | Tacrolimus Impurity 2

Chemical structure of Tacrolimus Impurity 2, CAS 131944-48-4
AG009E9S
sdsSDS
sdsCOA
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CAS Number 131944-48-4
Catalog Number AG009E9S(AGN-PC-0PJMYH)
Chemical Name Tacrolimus Impurity 2
IUPAC Name (1R,9S,12R,13E,15S,16S,19R,20E,23S,25S,26R,27R,29R)-1,16-dihydroxy-12-[(1R,3S,4R)-4-hydroxy-3-methoxycyclohexyl]-25,27-dimethoxy-13,15,21,23,29-pentamethyl-19-prop-2-enyl-11,30-dioxa-4-azatricyclo[24.3.1.04,9]triaconta-13,20-diene-2,3,10,18-tetrone
InChI InChI=1S/C44H69NO12/c1-10-13-30-19-25(2)18-26(3)20-37(54-8)40-38(55-9)22-29(6)44(52,57-40)41(49)42(50)45-17-12-11-14-32(45)43(51)56-39(31-15-16-33(46)36(23-31)53-7)28(5)21-27(4)34(47)24-35(30)48/h10,19,21,26-27,29-34,36-40,46-47,52H,1,11-18,20,22-24H2,2-9H3/b25-19+,28-21+/t26-,27-,29+,30+,31+,32-,33+,34-,36-,37-,38+,39-,40+,44+/m0/s1
InChI Key CISNOWSTVWQKDD-TVNFFHGDSA-N
MDL Number MFCD28988714
Molecular Formula C44H69NO12
Molecular Weight 804.0182
SMILES CO[C@@H]1C[C@@H](CC[C@H]1O)[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@H](O)[C@@H](C)C=C2/C)C)OC)[C@H](C[C@H]4C)OC
Synonyms
131944-48-4, DTXSID80747789, PUBCHEM_71316761, (E/Z)-FK-506 26,28-Allylic Ester Rearrangement Impurity, [3R-[3R*(1R*,3R*,4R*),4E,6S*,7S*,10R*,11E,14S*,16S*,17R*,18S*,20R*,21R*,28aS*]]-7,8,10,13,14,15,16,17,18,19,20,21,26,27,28,28a-Hexadecahydro-7,21-dihydroxy-3-(4-hydroxy-3-methoxycyclohexyl)-16,18-dimethoxy-4,6,12,14,20-pentamethyl-10-(2-propenyl)-7,21-epoxy-3H-pyrido[2,1-c][1,4]oxaazacyclopentacosine-1,9,22,23(6H,25H)-tetrone,

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    CERTIFICATE OF ANALYSIS
    Chemical Name: Batch Number:
    Chemical Structure: CAS Registry No:
    		Product ID:
    Manufacture Date:
    Storage Temperature:
    Formula:
    Molecular Weight:
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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