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AG00IKLE

2752-64-9 | (3R,4R,6S,6aS,7R,7aR,8R,9R,10S,11S,11aR,12R,12aR,13R,14S)-11a-Acetoxy-4,9,11-trihydroxy-6,10,13-trimethoxy-3-(methoxymethyl)-1-methyltetradecahydro-2H-3,6a,12-(epiethane[1,1,2]triyl)-7,9-methanonaphtho[2,3-b]azocin-8-yl benzoate

Chemical structure of (3R,4R,6S,6aS,7R,7aR,8R,9R,10S,11S,11aR,12R,12aR,13R,14S)-11a-Acetoxy-4,9,11-trihydroxy-6,10,13-trimethoxy-3-(methoxymethyl)-1-methyltetradecahydro-2H-3,6a,12-(epiethane[1,1,2]triyl)-7,9-methanonaphtho[2,3-b]azocin-8-yl benzoate, CAS 2752-64-9
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CAS Number 2752-64-9
Catalog Number AG00IKLE(AGN-PC-0R3B64)
Chemical Name (3R,4R,6S,6aS,7R,7aR,8R,9R,10S,11S,11aR,12R,12aR,13R,14S)-11a-Acetoxy-4,9,11-trihydroxy-6,10,13-trimethoxy-3-(methoxymethyl)-1-methyltetradecahydro-2H-3,6a,12-(epiethane[1,1,2]triyl)-7,9-methanonaphtho[2,3-b]azocin-8-yl benzoate
EC Number 220-397-6
IUPAC Name [(1S,2R,3R,4R,5R,6S,7S,8R,9R,13R,14R,16S,17S,18R)-8-acetyloxy-5,7,14-trihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-methyl-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] benzoate
InChI InChI=1S/C33H45NO11/c1-16(35)45-33-21-18(13-31(39,28(43-6)26(33)37)27(21)44-29(38)17-10-8-7-9-11-17)32-20(41-4)12-19(36)30(15-40-3)14-34(2)25(32)22(33)23(42-5)24(30)32/h7-11,18-28,36-37,39H,12-15H2,1-6H3/t18-,19-,20+,21-,22+,23+,24-,25?,26+,27-,28+,30+,31-,32+,33-/m1/s1
InChI Key XUHJBXVYNBQQBD-TUWOXVOMSA-N
MDL Number MFCD00210528
Molecular Formula C33H45NO11
Molecular Weight 631.7105
SMILES O(C)[C@@H]1[C@@]23[C@]4([C@](COC)(CN(C)[C@@]2([C@]([C@@H]4OC)([C@]5(OC(C)=O)[C@@]6([C@]3(C[C@@](O)([C@@H]6OC(=O)C7=CC=CC=C7)[C@@H](OC)[C@@H]5O)[H])[H])[H])[H])[C@H](O)C1)[H]
Synonyms
mesaconitine, mesaconitine hydrobromide, (1alpha,3alpha,6alpha,14alpha,15alpha,16beta)-isomer of mesaconitine, N-desethyl-N-methylaconitine, Mesaconitine, 2752-64-9, CHEBI:6773, C33H45NO11, V0357, C08698, CHEMBL3400310, XUHJBXVYNBQQBD-TUWOXVOMSA-N, CM0091, AKOS025311469, Q-100349, N-desethyl-N-methylaconitine, UNII-621OT356HL, EINECS 220-397-6, CID441747, NSC 77210, C33-H45-N-O11, ACN-035683, C019470, Mesaconitine, 98%, from Aconitum carmichaeli Debeaux - 5MG 5mg, Aconitane-3,8,13,14,15-pentol, 1,6,16-trimethoxy-4-(methoxymethyl)-20-methyl-, 8-acetate 14-benzoate, (1.alpha.,3.alpha.,6.alpha.,14.alpha.,15.alpha.,16.beta.)-, Aconitane-3,8,13,14,15-pentol, 1,6,16-trimethoxy-4-(methoxymethyl)-20-methyl-, 8-acetate 14-benzoate, (1alpha,3alpha,6alpha,14alpha,15alpha,16beta)-, mesaconitine hydrobromide, (1alpha,3alpha,6alpha,14alpha,15alpha,16beta)-isomer of mesaconitine,

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    CERTIFICATE OF ANALYSIS
    Chemical Name: Batch Number:
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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