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CAS 133941-75-0

:

(3S,4S,5S,8R,9E,12S,14S,15R,16S,18R,19R,26aS)-5-[[(1,1-Dimethylethyl)dimethylsilyl]oxy]-3-[(1E)-2-[(1R,3R,4R)-4-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-3-methoxycyclohexyl]-1-methylethenyl]-5,6,8,11,12,13,14,15,16,17,18,19,24,25,26,26a-hexadecahydro-19-hydroxy-14,16-dimethoxy-4,10,12,18-tetramethyl-8-(2-propenyl)-15,19-epoxy-3H-pyrido[2,1-c][1,4]oxaazacyclotricosine-1,7,20,21(4H,23H)-tetrone

Description:
The chemical substance with the name provided is a complex organic compound characterized by its intricate molecular structure, which includes multiple stereocenters and functional groups. It features a hexadecahydro framework, indicating a saturated cyclic structure with numerous hydrogen atoms. The presence of methoxy groups suggests potential reactivity and solubility in organic solvents. The compound also contains silyl ether functionalities, which enhance its stability and may influence its physical properties, such as volatility and solubility. Additionally, the presence of an epoxy group indicates potential for further chemical reactivity, particularly in nucleophilic addition reactions. The stereochemistry, denoted by the specific configuration at various chiral centers, plays a crucial role in determining the compound's biological activity and interaction with biological systems. Overall, this substance exemplifies the complexity often found in natural products and synthetic organic compounds, highlighting the interplay between structure and function in chemical behavior.
Formula:C56H97NO12Si2
InChI:InChI=1S/C56H97NO12Si2/c1-20-23-41-29-35(2)28-36(3)30-47(64-14)50-48(65-15)32-38(5)56(62,67-50)51(59)52(60)57-27-22-21-24-42(57)53(61)66-49(39(6)45(34-43(41)58)69-71(18,19)55(10,11)12)37(4)31-40-25-26-44(46(33-40)63-13)68-70(16,17)54(7,8)9/h20,29,31,36,38-42,44-50,62H,1,21-28,30,32-34H2,2-19H3/b35-29+,37-31+/t36-,38+,39+,40-,41+,42-,44+,45-,46+,47-,48-,49+,50+,56+/m0/s1
InChI key:InChIKey=ZMQPVYFWZQHALN-SWHZMJOBSA-N
SMILES:O(C)[C@@H]1[C@@]2(O[C@](O)([C@H](C)C1)C(=O)C(=O)N3[C@](C(=O)O[C@H](\C(=C\[C@H]4C[C@@H](OC)[C@H](O[Si](C(C)(C)C)(C)C)CC4)\C)[C@H](C)[C@@H](O[Si](C(C)(C)C)(C)C)CC(=O)[C@H](CC=C)/C=C(\C)/C[C@H](C)C[C@@H]2OC)(CCCC3)[H])[H]
Synonyms:
  • (3S,4S,5S,8R,9E,12S,14S,15R,16S,18R,19R,26aS)-5-[[(1,1-Dimethylethyl)dimethylsilyl]oxy]-3-[(1E)-2-[(1R,3R,4R)-4-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-3-methoxycyclohexyl]-1-methylethenyl]-5,6,8,11,12,13,14,15,16,17,18,19,24,25,26,26a-hexadecahydro-19-hydroxy-14,16-dimethoxy-4,10,12,18-tetramethyl-8-(2-propenyl)-15,19-epoxy-3H-pyrido[2,1-c][1,4]oxaazacyclotricosine-1,7,20,21(4H,23H)-tetrone
  • 24,32-Bis-O-(tert-butyldimethylsilyl)-FK 506
  • 15,19-Epoxy-3H-pyrido[2,1-c][1,4]oxaazacyclotricosine-1,7,20,21(4H,23H)-tetrone, 5-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-3-[(1E)-2-[(1R,3R,4R)-4-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-3-methoxycyclohexyl]-1-methylethenyl]-5,6,8,11,12,13,14,15,16,17,18,19,24,25,26,26a-hexadecahydro-19-hydroxy-14,16-dimethoxy-4,10,12,18-tetramethyl-8-(2-propenyl)-, (3S,4S,5S,8R,9E,12S,14S,15R,16S,18R,19R,26aS)-
  • 15,19-Epoxy-3H-pyrido[2,1-c][1,4]oxaazacyclotricosine-1,7,20,21(4H,23H)-tetrone, 5-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-3-[2-[4-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-3-methoxycyclohexyl]-1-methylethenyl]-5,6,8,11,12,13,14,15,16,17,18,19,24,25,26,26a-hexadecahydro-19-hydroxy-14,16-dimethoxy-4,10,12,18-tetramethyl-8-(2-propenyl)-, [3S-[3R*[E(1S*,3S*,4S*)],4R*,5R*,8S*,9E,12R*,14R*,15S*,16R*,18S*,19S*,26aR*]]-
  • FK 506 24,32-bis(tert-butyldimethylsilyl) ether
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Found 2 products.
  • Tacrolimus Impurity 16
    TLC
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    Tacrolimus Impurity 16

    CAS:
    Formula:C56H97NO12Si2
    Molecular weight:1032.56

    Ref: 4Z-T-3932

    5mg
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  • 24,32-Bis-O-(tert-butyldimethylsilyl)-FK-506
    TRC
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    24,32-Bis-O-(tert-butyldimethylsilyl)-FK-506

    Controlled Product
    CAS:

    Applications Protected form of FK-506 (Tacrolimus)
    References Rokaw, M.D., et al.: Am. J. Physiol., 271, C194 (1996), Knoll, G.A., et al.: Brit. Med. J., 318, 1104 (1999),

    Formula:C56H97NO12Si2
    Color and Shape:Neat
    Molecular weight:1032.54

    Ref: TR-B415260

    5mg
    299.00€