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AG00C6F2

41451-75-6 | Bruceantin

Chemical structure of Bruceantin, CAS 41451-75-6
AG00C6F2
sdsSDS
sdsCOA
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CAS Number 41451-75-6
Catalog Number AG00C6F2(AGN-PC-0RQI0A)
Chemical Name Bruceantin
IUPAC Name methyl (1R,2S,3R,6R,8R,13S,14R,15R,16S,17S)-3-[(E)-3,4-dimethylpent-2-enoyl]oxy-10,15,16-trihydroxy-9,13-dimethyl-4,11-dioxo-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-17-carboxylate
InChI InChI=1S/C28H36O11/c1-11(2)12(3)7-17(30)39-20-22-27-10-37-28(22,25(35)36-6)23(33)19(32)21(27)26(5)9-15(29)18(31)13(4)14(26)8-16(27)38-24(20)34/h7,11,14,16,19-23,31-33H,8-10H2,1-6H3/b12-7+/t14-,16+,19+,20+,21+,22+,23-,26-,27+,28-/m0/s1
InChI Key IRQXZTBHNKVIRL-GOTQHHPNSA-N
MDL Number MFCD00866510
Molecular Formula C28H36O11
Molecular Weight 548.5788
NSC Number 165563
SMILES COC([C@]12[C@@]3([H])[C@@]4(CO2)[C@@]([C@H]([C@@H]1O)O)([H])[C@@]5([C@@](C(C)=C(C(C5)=O)O)([H])C[C@@]4([H])OC([C@@H]3OC(/C=C(C)/C(C)C)=O)=O)C)=O
UNII S3NW88DI4T
Synonyms
bruceantin, BRUCEANTIN, 41451-75-6, Bruceantine, UNII-S3NW88DI4T, NSC165563, NSC-165563, S3NW88DI4T, MLS002703020, CHEBI:3188, NSC 165563, Picras-3-en-21-oic acid,4-dimethyl-1-oxo-2-pentenyl)oxy]-13,20-epoxy-3,11,12-trihydroxy-2,16-dioxo-, methyl ester, (11.beta.,12.alpha.,15.beta.(E))-, Picras-3-en-21-oic acid,4-dimethyl-1-oxo-2-pentenyl)oxy]-13,20-epoxy-3,11,12-trihydroxy-2,16-dioxo-, methyl ester, [11.beta.,12.alpha.,15.beta.(E)]-, Picras-3-en-21-oic acid, Bruceantin(NSC165563), CHEMBL509895, SCHEMBL16742407, IRQXZTBHNKVIRL-GOTQHHPNSA-N, HY-N0840, MFCD00866510, ZINC30726685, AKOS030526145, SC-96853, (-)-Bruceantin;NCI165563;NSC165563, C08749, 2H-3,1-bc]pyran, picras-3-en-21-oic acid deriv., 2H-3,11c-(Epoxymethano)phenanthro(10,1-bc)pyran, picras-3-en-21-oic acid deriv. (9CI), (11beta,12alpha,15beta)-15-[(3,4-Dimethyl-1-oxo-2-pentenyl)oxy]-13,20-epoxy-3,11,12-trihydroxy-2,16-dioxopicras-3-en-21-oic acid methyl ester, methyl (1R,2S,3S,3aS,3a1R,4R,6aR,7aR,11aS,11bR)-4-(((E)-3,4-dimethylpent-2-enoyl)oxy)-1,2,9-trihydroxy-8,11a-dimethyl-5,10-dioxo-1,4,5,6a,7,7a,10,11,11a,11b-decahydro-2H-3,3a1-(epoxymethano, Picras-3-en-21-oic acid, 15-((3,4-dimethyl-1-oxo-2-pentenyl)oxy)-13,20-epoxy-3,11,12-trihydroxy-2,16-dioxo-, methyl ester, (11beta,12alpha,15beta(E))- (9CI), Picras-3-en-21-oic acid,4-dimethyl-1-oxo-2-pentenyl)oxy]-13,20-epoxy-3,11,12-trihydroxy-2,16-dioxo-, methyl ester [11.beta.,12.alpha.,15.beta.(E]-, C28H36O11, CID5281304, CS-3008, C28-H36-O11, )dibenzo[de,g]chromene-3(3aH)-carboxylate, C002550, 2H-3,11c-(Epoxymethano)phenanthro[10,1-bc]pyran, picras-3-en-21-oic acid deriv., 4-[(E)-3-[(1R)-1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy]-3-oxo-prop-1-enyl]-2-(3,4-dihydroxyphenyl)-7-hydroxy-2,3-dihydrobenzofuran-3-carboxylic acid, Methyl (5beta,7alpha,9beta,10alpha,11alpha,12alpha,13beta,15alpha)-15-{[(2e)-3,4-Dimethylpent-2-Enoyl]oxy}-3,11,12-Trihydroxy-2,16-Dioxo-13,20-Epoxypicras-3-En-21-Oate, Picras-3-en-21-oic acid, 15-[(3,4-dimethyl-1-oxo-2-pentenyl)oxy]-13,20-epoxy-3,11,12-trihydroxy-2,16-dioxo-, methyl ester, (11.beta.,12.alpha.,15.beta.(E))-,

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