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AG00DB8S

4491-19-4 | (1α,3α,6α,14α,16β)-8-Acetate-14-benzoate-20-ethyl-1,6,16-trimethoxy-4-(methoxymethyl)-aconitane-3,8,13,14-tetrol

Chemical structure of (1α,3α,6α,14α,16β)-8-Acetate-14-benzoate-20-ethyl-1,6,16-trimethoxy-4-(methoxymethyl)-aconitane-3,8,13,14-tetrol, CAS 4491-19-4
AG00DB8S
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CAS Number 4491-19-4
Catalog Number AG00DB8S(AGN-PC-0RT8S5)
Chemical Name (1α,3α,6α,14α,16β)-8-Acetate-14-benzoate-20-ethyl-1,6,16-trimethoxy-4-(methoxymethyl)-aconitane-3,8,13,14-tetrol
IUPAC Name [(1S,2R,3R,4R,5S,6S,8R,9R,13R,14R,16S,17S,18R)-8-acetyloxy-11-ethyl-5,14-dihydroxy-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/C34H47NO10/c1-7-35-16-31(17-40-3)21(37)13-22(41-4)34-20-14-32(39)23(42-5)15-33(45-18(2)36,25(28(34)35)26(43-6)27(31)34)24(20)29(32)44-30(38)19-11-9-8-10-12-19/h8-12,20-29,37,39H,7,13-17H2,1-6H3/t20-,21-,22+,23+,24-,25+,26+,27-,28?,29-,31+,32+,33-,34+/m1/s1
InChI Key PHDZNMWTZQPAEW-ZIVNFORMSA-N
MDL Number MFCD01673508
Molecular Formula C34H47NO10
Molecular Weight 629.7377
SMILES O(C)[C@@H]1[C@@]23[C@]4([C@](COC)(CN(CC)[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)C5)[H])[H])[H])[H])[C@H](O)C1)[H]
Synonyms
Indaconitine, 4491-19-4, Indaconitone, Y0108, C08691, CHEBI:5890, 15-Deoxyaconitine, Acetylbenzoylpseudaconine, UNII-HNC9MLB3BL, Acetylbenzoylpseudoaconine, C34H47NO10, CID441740, C34-H47-N-O10, ACN-047362, BRN 0074036, 5-21-06-00308 (Beilstein Handbook Reference), Aconitane-3,8,13,14-tetrol, 20-ethyl-1,6,16-trimethoxy-4-(methoxymethyl)-, 8-acetate 14-benzoate, (1.alpha.,3.alpha.,6.alpha.,14.alpha.,16.beta.)-,

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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