CAS 129905-10-8

(αR,2R,3S,4R,5S,6R)-α,5-Diethyl-6-[(1S,2S,3S,5R)-5-[(2S,2′R,3′R,4S,5S,5′R)-5′-ethyloctahydro-2′-hydroxy-5′-[(1S)-1-hydroxybutyl]-2,3′,4-trimethyl[2,2′-bifuran]-5-yl]-2-hydroxy-1,3-dimethyl-4-oxoheptyl]tetrahydro-2,4-dihydroxy-3-methyl-2H-pyran-2-acetic acid

Description:

The chemical substance identified by the name "(αR,2R,3S,4R,5S,6R)-α,5-Diethyl-6-[(1S,2S,3S,5R)-5-[(2S,2′R,3′R,4S,5S,5′R)-5′-ethyloctahydro-2′-hydroxy-5′-[(1S)-1-hydroxybutyl]-2,3′,4-trimethyl[2,2′-bifuran]-5-yl]-2-hydroxy-1,3-dimethyl-4-oxoheptyl]tetrahydro-2,4-dihydroxy-3-methyl-2H-pyran-2-acetic acid" and CAS number "129905-10-8" is a complex organic compound characterized by multiple stereocenters and a diverse array of functional groups. It features a tetrahydro-pyran ring, which contributes to its cyclic structure, and includes hydroxyl (-OH) groups that suggest potential for hydrogen bonding, influencing its solubility and reactivity. The presence of ethyl groups indicates hydrophobic characteristics, while the bifuran moiety may impart unique electronic properties. This compound's intricate stereochemistry suggests it may exhibit specific biological activity, potentially making it relevant in pharmaceutical applications. Its molecular complexity and the presence of various substituents imply that it could interact with biological systems in a nuanced manner, warranting further investigation into its properties and potential uses.

Formula: C₃₈H₆₈O₁₁

InChI: InChI=1S/C38H68O11/c1-12-17-28(39)36(16-5)19-21(7)38(46,49-36)35(11)18-20(6)32(47-35)25(13-2)30(41)22(8)29(40)23(9)33-26(14-3)31(42)24(10)37(45,48-33)27(15-4)34(43)44/h20-29,31-33,39-40,42,45-46H,12-19H2,1-11H3,(H,43,44)/t20-,21+,22-,23-,24-,25-,26-,27-,28-,29+,31-,32-,33+,35-,36+,37+,38+/m0/s1

InChI key: InChIKey=NZJHONRWXITMMC-LPMSCSBASA-N

SMILES: O[C@]1(O[C@]([C@H](CCC)O)(CC)C[C@H]1C)[C@@]2(C)O[C@]([C@H](C([C@H]([C@H]([C@H](C)[C@@]3([C@@H](CC)[C@@H](O)[C@H](C)[C@@]([C@H](C(O)=O)CC)(O)O3)[H])O)C)=O)CC)([C@@H](C)C2)[H]

Synonyms:

• Lysocellin, 20-de(1-hydroxypropyl)-6-demethyl-2,6-diethyl-5-hydroxy-20-(1-hydroxybutyl)-, (2S,4S,5R)-
• (αR,2R,3S,4R,5S,6R)-α,5-Diethyl-6-[(1S,2S,3S,5R)-5-[(2S,2′R,3′R,4S,5S,5′R)-5′-ethyloctahydro-2′-hydroxy-5′-[(1S)-1-hydroxybutyl]-2,3′,4-trimethyl[2,2′-bifuran]-5-yl]-2-hydroxy-1,3-dimethyl-4-oxoheptyl]tetrahydro-2,4-dihydroxy-3-methyl-2H-pyran-2-acetic acid
• Inostamycin A
• Inostamycin
• 2H-Pyran-2-acetic acid, α,5-diethyl-6-[(1S,2S,3S,5R)-5-[(2S,2′R,3′R,4S,5S,5′R)-5′-ethyloctahydro-2′-hydroxy-5′-[(1S)-1-hydroxybutyl]-2,3′,4-trimethyl[2,2′-bifuran]-5-yl]-2-hydroxy-1,3-dimethyl-4-oxoheptyl]tetrahydro-2,4-dihydroxy-3-methyl-, (αR,2R,3S,4R,5S,6R)-

Inostamycin A

CAS: 129905-10-8

Inostamycin A, a anticancer bacterial metabolite isolated from Streptomyces, is a selective inhibitor of CDP-diacylglycerol:inositol 3-phosphatidyltransferase.

Formula: C₃₈H₆₈O₁₁

Color and Shape: Solid

Molecular weight: 700.94

Ref: TM-T36844