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AG00BF7A

23094-71-5 | Chebulagic acid

Chemical structure of Chebulagic acid, CAS 23094-71-5
AG00BF7A
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sdsCOA
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CAS Number 23094-71-5
Catalog Number AG00BF7A(AGN-PC-0QZK5A)
Chemical Name Chebulagic acid
IUPAC Name 2-[(4R,5S,7R,25S,26R,29S,30S,31S)-13,14,15,18,19,20,31,35,36-nonahydroxy-2,10,23,28,32-pentaoxo-5-(3,4,5-trihydroxybenzoyl)oxy-3,6,9,24,27,33-hexaoxaheptacyclo[28.7.1.04,25.07,26.011,16.017,22.034,38]octatriaconta-1(37),11,13,15,17,19,21,34(38),35-nonaen-29-yl]acetic acid
InChI InChI=1S/C41H30O27/c42-13-1-8(2-14(43)24(13)49)35(56)68-41-34-33-31(64-39(60)12(6-19(47)48)22-23-11(38(59)67-34)5-17(46)27(52)32(23)65-40(61)30(22)55)18(63-41)7-62-36(57)9-3-15(44)25(50)28(53)20(9)21-10(37(58)66-33)4-16(45)26(51)29(21)54/h1-5,12,18,22,30-31,33-34,41-46,49-55H,6-7H2,(H,47,48)/t12-,18+,22-,30-,31+,33-,34+,41-/m0/s1
InChI Key HGJXAVROWQLCTP-YABCKIEDSA-N
MDL Number MFCD09264640
Molecular Formula C41H30O27
Molecular Weight 954.6607
SMILES O=C(O)CC1C(=O)OC2C3OC(OC(=O)C4=CC(O)=C(O)C(O)=C4)C(OC(=O)C5=CC(O)=C(O)C=6OC(=O)C(O)C1C65)C2OC(=O)C7=CC(O)=C(O)C(O)=C7C=8C(O)=C(O)C(O)=CC8C(=O)OC3
Synonyms
chebulagic acid, Chebulagic acid, CHEBI:3583, 23094-71-5, AC1L9D78, CHEMBL525240, NSC636590, 2-[nonahydroxy-pentaoxo-(3,4,5-trihydroxybenzoyl)oxy-[?]yl]acetic acid, 9150Af, GN-29, BDBM50366290, C41H30O27, ZINC169293868, FT-0698058, C10214, .beta.-D-Glucopyranose, cyclic 3,6-[(1R)-4,4',5,5',6,6'-hexahydroxy[1,1'-biphenyl]-2,2'-dicarboxylate] 1-(3,4,5-trihydroxybenzoate), cyclic, NSC342674, CID442674, ACN-047487, NSC 342674, C41-H30-O27, C076178, .beta.-D-Glucopyranose, cyclic 3,6-[(1R)-4,4',5,5',6,6'-hexahydroxy[1,1'-biphenyl]-2,2'-dicarboxylate] 1-(3,4,5-trihydroxybenzoate), cyclic 2.5:4.1-ester with (2S)-[(3S,4S)-5-carboxy-3,4-dihydro-3,7,8-trihydroxy-2-oxo-2H-1-benzopyran-4-yl]butanedioic acid, stereoisomer 2.fwdarw.5:4.fwdarw.1-ester with (2S)-[(3S,4S)-5-carboxy-3,4-dihydro-3,7,8-trihydroxy-2-oxo-2H-1-benzopyran-4-yl]butanedioic acid, stereoisomer,

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    CERTIFICATE OF ANALYSIS
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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