14-O-[(1-Amino-2-methylpropan-2-yl)thioacetyl]mutilin - CAS 133787-61-8

Catalog: BB061448
Product Name: 14-O-[(1-Amino-2-methylpropan-2-yl)thioacetyl]mutilin
CAS: 133787-61-8
Synonyms: [3aS-(3aα,4β,5α,6α,8β,9α,9aβ,10S*)]-[(2-Amino-1,1-dimethylethyl)thio]acetic Acid , 6-Ethenyldecahydro-5-hydroxy-4,6,9,10-tetramethyl-1-oxo-3a,9-propano-3aH-cyclopentacycloocten-8-yl Ester; 3a,9-Propano-3aH-cyclopentacyclooctene Acetic Acid Deriv
14-O-[(1-Amino-2-methylpropan-2-yl)thioacetyl]mutilin
IUPAC Name:[(1S,2R,3S,4S,6R,7R,8R,14R)-4-ethenyl-3-hydroxy-2,4,7,14-tetramethyl-9-oxo-6-tricyclo[5.4.3.01,8]tetradecanyl] 2-(1-amino-2-methylpropan-2-yl)sulfanylacetate
Description:14-O-[(1-Amino-2-methylpropan-2-yl)thioacetyl]mutilin is an intermediate in the synthesis of antibacterial novel pleuromutillin derivatives.
Molecular Weight:465.69
Molecular Formula:C26H43NO4S
Canonical SMILES:CC1CCC23CCC(=O)C2C1(C(CC(C(C3C)O)(C)C=C)OC(=O)CSC(C)(C)CN)C
InChI:InChI=1S/C26H43NO4S/c1-8-24(6)13-19(31-20(29)14-32-23(4,5)15-27)25(7)16(2)9-11-26(17(3)22(24)30)12-10-18(28)21(25)26/h8,16-17,19,21-22,30H,1,9-15,27H2,2-7H3/t16-,17+,19-,21+,22+,24-,25+,26+/m1/s1
InChI Key:SFHAPCGDMNOXSA-ZHLRGWEPSA-N
Melting Point:113 - 115°C
Solubility:Chloroform (Slightly), Methanol (Slightly)
Appearance:Off-White to Pale Yellow Solid
Storage:-20°C, Hygroscopic
References:Shang, R.F., et al. Euro. J. Med. Chem, 63, 231 (2013); Xu, K,P., et al.L J. Chem. Res., 34, 354 (2010).

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