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AG00DB87

466-24-0 | Benzoylaconine

Chemical structure of Benzoylaconine, CAS 466-24-0
AG00DB87
sdsSDS
sdsCOA

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CAS Number 466-24-0
Catalog Number AG00DB87(AGN-PC-0RUKEA)
Chemical Name Benzoylaconine
IUPAC Name [(1S,2R,3R,4R,5R,6S,7S,8R,9R,13R,14R,16S,17S,18R)-11-ethyl-5,7,8,14-tetrahydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] benzoate
InChI InChI=1S/C32H45NO10/c1-6-33-14-29(15-39-2)18(34)12-19(40-3)31-17-13-30(37)26(43-28(36)16-10-8-7-9-11-16)20(17)32(38,25(35)27(30)42-5)21(24(31)33)22(41-4)23(29)31/h7-11,17-27,34-35,37-38H,6,12-15H2,1-5H3/t17-,18-,19+,20-,21+,22+,23-,24?,25+,26-,27+,29+,30-,31+,32-/m1/s1
InChI Key DHJXZSFKLJCHLH-KYSNEVMMSA-N
MDL Number MFCD01704309
Molecular Formula C32H45NO10
Molecular Weight 603.7004
SMILES O([C@H]1C[C@H]([C@]2(CN(C3C4[C@]5([C@H]([C@@H]([C@@]6(C([C@H]5[C@@]([H])(C6)C31[C@]2([H])[C@H]4OC)OC(C1C=CC=CC=1)=O)O)OC)O)O)CC)COC)O)C
Synonyms
benzoyl-aconine, benzoylaconine, Benzoylaconine, 466-24-0, Benzaconine, 14-Benzoylaconine, Picraconitine, Benzoylaconitine, aconine benzoate, C32H45NO10, aconine 14-benzoate, 14-O-benzoylaconine, SCHEMBL2977326, CHEMBL2062825, CHEBI:132633, Y0037, (1alpha,3alpha,6alpha,14alpha,15alpha,16beta)-20-ethyl-3,8,13,15-tetrahydroxy-1,6,16-trimethoxy-4-(methoxymethyl)aconitan-14-yl benzoate, 20-ethyl-3alpha,8,13,15alpha-tetrahydroxy-1alpha,6alpha,16beta-trimethoxy-4-(methoxymethyl)aconitan-14alpha-yl benzoate, Isaconitine, Pikraconitin, benzoyl-aconine, UNII-369U7A6HXD, C32-H45-N-O10, ACN-047213, BRN 0073066, 4-21-00-02901 (Beilstein Handbook Reference), C047307,

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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