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129297-22-9

129297-22-9 | Monensin, 21,25-deepoxy-16-deethyl-25-de(hydroxymethyl)-12-demethyl-21,24-epoxy-25-ethyl-21-hydroxy-8,16-dimethyl-7-O-methyl-, (8R)-

CAS No: 129297-22-9 Catalog No: AG000Z29 MDL No:

Product Description

Catalog Number:
AG000Z29
Chemical Name:
Monensin, 21,25-deepoxy-16-deethyl-25-de(hydroxymethyl)-12-demethyl-21,24-epoxy-25-ethyl-21-hydroxy-8,16-dimethyl-7-O-methyl-, (8R)-
CAS Number:
129297-22-9
Molecular Formula:
C37H64O11
Molecular Weight:
684.8975
IUPAC Name:
4-[2-[5-[5-[2-hydroxy-5-(1-hydroxypropyl)-3,5-dimethyloxolan-2-yl]-3-methyloxolan-2-yl]-5-methyloxolan-2-yl]-9-methoxy-8,10-dimethyl-1,6-dioxaspiro[4.5]decan-7-yl]-3-methoxy-2-methylpentanoic acid
InChI:
InChI=1S/C37H64O11/c1-12-27(38)35(9)18-20(3)37(41,48-35)28-17-19(2)32(44-28)34(8)15-13-25(45-34)26-14-16-36(46-26)24(7)31(43-11)22(5)30(47-36)21(4)29(42-10)23(6)33(39)40/h19-32,38,41H,12-18H2,1-11H3,(H,39,40)
InChI Key:
DQQFPJYHEYSNAS-UHFFFAOYSA-N
SMILES:
COC(C(C(=O)O)C)C(C1OC2(CCC(O2)C2CCC(O2)(C)C2OC(CC2C)C2(O)OC(CC2C)(C)C(CC)O)C(C(C1C)OC)C)C

Properties

Complexity:
1140  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
684.445g/mol
Formal Charge:
0
Heavy Atom Count:
48  
Hydrogen Bond Acceptor Count:
11  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
684.908g/mol
Monoisotopic Mass:
684.445g/mol
Rotatable Bond Count:
11  
Topological Polar Surface Area:
142A^2
Undefined Atom Stereocenter Count:
18  
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8  

Literature

Title Journal
Kijimicin: an inhibitor of human immunodeficiency virus in acutely and chronically infected cells. The Journal of antibiotics 19910501

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