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Integracin B

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Category HIV Integrase
CAS 224186-05-4
Description It is an unusual ester of two structurally related alkylresorcinols first isolated from fungus, cytonaema sp. It is a potent inhibitor of HIV-1.
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Product Information

Synonyms 2,4-Dihydroxy-6-[(8R)-8-hydroxyundecyl]benzoic Acid (1R)-8-(3,5-Dihydroxyphenyl)-1-propyloctyl Ester
IUPAC Name [(4R)-11-(3,5-dihydroxyphenyl)undecan-4-yl] 2,4-dihydroxy-6-[(8R)-8-hydroxyundecyl]benzoate
Molecular Weight 586.80
Molecular Formula C35H54O7
Canonical SMILES CCCC(CCCCCCCC1=C(C(=CC(=C1)O)O)C(=O)OC(CCC)CCCCCCCC2=CC(=CC(=C2)O)O)O
InChI InChI=1S/C35H54O7/c1-3-15-28(36)19-13-9-6-8-12-18-27-23-31(39)25-33(40)34(27)35(41)42-32(16-4-2)20-14-10-5-7-11-17-26-21-29(37)24-30(38)22-26/h21-25,28,32,36-40H,3-20H2,1-2H3/t28-,32-/m1/s1
InChIKey IKNYNBVDLOWJFN-AKGWNBJDSA-N
Boiling Point 759.5±59.0°C (Predicted)
Purity >95% by HPLC
Density 1.114±0.06 g/cm3 (Predicted)
Solubility Soluble in Ethanol, Methanol, DMF, DMSO
Appearance Pale Yellow Oily Matter
Storage Store at -20°C
Complexity 678
Exact Mass 586.38695406
PSA 127.45000
Target HIV Integrase; HIV
XLogP3-AA 10.8

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