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AG00GU3P

86307-44-0 | pre-Calcitriol PTAD Adduct

Chemical structure of pre-Calcitriol PTAD Adduct, CAS 86307-44-0
AG00GU3P
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CAS Number 86307-44-0
Catalog Number AG00GU3P(AGN-PC-0V3WGZ)
Chemical Name pre-Calcitriol PTAD Adduct
IUPAC Name (1R,7S,10R,13R,14R)-7-[(3S,5R)-3,5-dihydroxy-2-methylcyclohexen-1-yl]-13-[(2R)-6-hydroxy-6-methylheptan-2-yl]-14-methyl-4-phenyl-2,4,6-triazatetracyclo[7.7.0.02,6.010,14]hexadec-8-ene-3,5-dione
InChI InChI=1S/C35H49N3O5/c1-21(10-9-16-34(3,4)43)27-13-14-28-26-20-30(25-18-24(39)19-31(40)22(25)2)38-33(42)36(23-11-7-6-8-12-23)32(41)37(38)29(26)15-17-35(27,28)5/h6-8,11-12,20-21,24,27-31,39-40,43H,9-10,13-19H2,1-5H3/t21-,24-,27-,28+,29-,30+,31+,35-/m1/s1
InChI Key AYDPRRXRNSGAGP-ZBKKTSFSSA-N
MDL Number MFCD22124487
Molecular Formula C35H49N3O5
Molecular Weight 591.7807
SMILES C1C(=C([C@H](C[C@@H]1O)O)C)[C@H]1N2C(N(C3C=CC=CC=3)C(=O)N2[C@]2([H])CC[C@]3(C)[C@@]([H])([C@@H](CCCC(O)(C)C)C)CC[C@@]3([H])C2=C1)=O
Synonyms
Impurity C of Calcitriol, 86307-44-0, pre-Calcitriol PTAD Adduct, C35H49N3O5, 3734AH, ZINC72130570, AKOS030526942, W-5878, [4aR-[4a|A,6a|A,7|A(R*),9a|A,11|A(3S*,5R*)]]-11-(3,5-Dihydroxy-2-methyl-1-cyclohexen-1-yl)-4a,6,6a,7,8,9,9a,11-octahydro-7-(5-hydroxy-1,5-dimethylhexyl)-6a-methyl-2-phenyl-1H,5H-cyclopenta[f][1,2,4]triazolo[1,2-a]cinnoline-1,3(2H)-dione, 1H,5H-Cyclopenta[f][1,2,4]triazolo[1,2-a]cinnoline-1,3(2H)-dione, 11-(3,5-dihydroxy-2-methyl-1-cyclohexen-1-yl)-4a,6,6a,7,8,9,9a,11-octahydro-7-(5-hydroxy-1,5-dimethylhexyl)-6a-methyl-2-phenyl-, [4aR-[4a|A,6a|A,7|A(R*),9a|A,11|A(3S*,5R*)]]- (9CI),

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    Conclusion: The above product meets the specifications of Angene.
    Analyst:Chase
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    Reviewed by:Jessie
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    Angene International Limited