19-Oxocinobufagin

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Catalog Number ACM24512592
Product Name 19-Oxocinobufagin
CAS Number 24512-59-2
IUPAC Name [(1R,2S,4R,5R,6R,7R,10S,11R,14S,16R)-11-formyl-14-hydroxy-7-methyl-6-(6-oxopyran-3-yl)-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadecan-5-yl] acetate
Molecular Weight 456.53
Molecular Formula C26H32O7
Canonical SMILES CC(=O)OC1C(C2(CCC3C(C24C1O4)CCC5C3(CCC(C5)O)C=O)C)C6=COC(=O)C=C6
Inchi InChI=1S/C26H32O7/c1-14(28)32-22-21(15-3-6-20(30)31-12-15)24(2)9-8-18-19(26(24)23(22)33-26)5-4-16-11-17(29)7-10-25(16,18)13-27/h3,6,12-13,16-19,21-23,29H,4-5,7-11H2,1-2H3/t16-,17+,18+,19-,21+,22-,23-,24-,25-,26-/m1/s1
InChIKey FRUGXBQKMCOIBP-CDIOGTMDSA-N
Purity 98%
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