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AG01EOQS

114899-80-8 | (1′R,6R,6aR,7R,13S,14R,16R)-5-(Acetyloxy)-3′,4′,6,6a,7,13,14,16-octahydro-6′,8-dihydroxy-7′,9-dimethoxy-4,10,23-trimethyl-19-oxospiro[6,16-(epithiopropanoxymethano)-7,13-imino-12H-1,3-dioxolo[7,8]isoquino[3,2-b][3]benzazocine-20,1′(2′H)-isoquinoline]-14-carbonitrile

Chemical structure of (1′R,6R,6aR,7R,13S,14R,16R)-5-(Acetyloxy)-3′,4′,6,6a,7,13,14,16-octahydro-6′,8-dihydroxy-7′,9-dimethoxy-4,10,23-trimethyl-19-oxospiro[6,16-(epithiopropanoxymethano)-7,13-imino-12H-1,3-dioxolo[7,8]isoquino[3,2-b][3]benzazocine-20,1′(2′H)-isoquinoline]-14-carbonitrile, CAS 114899-80-8
AG01EOQS
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CAS Number 114899-80-8
Catalog Number AG01EOQS(AGN-PC-0P6WL6)
Chemical Name (1′R,6R,6aR,7R,13S,14R,16R)-5-(Acetyloxy)-3′,4′,6,6a,7,13,14,16-octahydro-6′,8-dihydroxy-7′,9-dimethoxy-4,10,23-trimethyl-19-oxospiro[6,16-(epithiopropanoxymethano)-7,13-imino-12H-1,3-dioxolo[7,8]isoquino[3,2-b][3]benzazocine-20,1′(2′H)-isoquinoline]-14-carbonitrile
IUPAC Name [(1R,2R,3R,11S,12R,14R,26R)-12-cyano-5,6'-dihydroxy-6,7'-dimethoxy-7,21,30-trimethyl-27-oxospiro[17,19,28-trioxa-24-thia-13,30-diazaheptacyclo[12.9.6.13,11.02,13.04,9.015,23.016,20]triaconta-4(9),5,7,15,20,22-hexaene-26,1'-3,4-dihydro-2H-isoquinoline]-22-yl] acetate
InChI InChI=1S/C40H42N4O10S/c1-17-9-21-10-23-24(13-41)44-25-14-51-39(48)40(22-12-27(49-5)26(46)11-20(22)7-8-42-40)15-55-38(32(44)31(43(23)4)28(21)33(47)34(17)50-6)30-29(25)37-36(52-16-53-37)18(2)35(30)54-19(3)45/h9,11-12,23-25,31-32,38,42,46-47H,7-8,10,14-16H2,1-6H3/t23-,24-,25-,31+,32+,38+,40+/m0/s1
InChI Key BGFXHQYUWCGGLL-QWIBJBKUSA-N
MDL Number MFCD30718178
Molecular Formula C40H42N4O10S
Molecular Weight 770.8473
SMILES C(#N)[C@@H]1N2[C@@]([C@]3(C=4C([C@@]2(COC(=O)[C@@]5(CS3)C=6C(=CC(O)=C(OC)C6)CCN5)[H])=C7C(=C(C)C4OC(C)=O)OCO7)[H])([C@]8(C=9C(C[C@@]1(N8C)[H])=CC(C)=C(OC)C9O)[H])[H]
Synonyms
ecteinascidin 770, Ecteinascidin 770, 114899-80-8, CHEMBL448144, SCHEMBL9765335, BGFXHQYUWCGGLL-QWIBJBKUSA-N, CS-6236, HY-101191, CID10952807, CID 10350233,

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    CERTIFICATE OF ANALYSIS
    Chemical Name: Batch Number:
    Chemical Structure: CAS Registry No:
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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