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CAS 112828-13-4

:

(1S,3R,5E,7E)-1,3-Bis[(tert-butyldimethylsilyl)oxy]-9,10-secopregna-5,7,10(19)-triene-20-carboxaldehyde

Description:
The chemical substance known as "(1S,3R,5E,7E)-1,3-Bis[(tert-butyldimethylsilyl)oxy]-9,10-secopregna-5,7,10(19)-triene-20-carboxaldehyde" with CAS number 112828-13-4 is a complex organic compound characterized by its steroidal structure, which includes multiple functional groups. The presence of tert-butyldimethylsilyl (TBDMS) groups indicates that the compound is likely to be hydrophobic and may exhibit enhanced stability and solubility in organic solvents. The aldehyde functional group suggests potential reactivity, particularly in condensation reactions or as a reducing agent. The specific stereochemistry denoted by the (1S,3R) and (5E,7E) configurations indicates that the compound has defined spatial arrangements that can influence its biological activity and interactions. This compound may be of interest in medicinal chemistry and biochemistry, particularly in the study of steroid derivatives and their applications in pharmaceuticals. Its structural complexity and functional groups suggest potential uses in synthetic organic chemistry and as a precursor in the synthesis of other biologically active molecules.
Formula:C34H60O3Si2
InChI:InChI=1S/C34H60O3Si2/c1-24(23-35)29-18-19-30-26(15-14-20-34(29,30)9)16-17-27-21-28(36-38(10,11)32(3,4)5)22-31(25(27)2)37-39(12,13)33(6,7)8/h16-17,23-24,28-31H,2,14-15,18-22H2,1,3-13H3/b26-16+,27-17+/t24-,28-,29-,30+,31+,34-/m1/s1
InChI key:InChIKey=CBBPZOZLUNXNDK-NZAAPPJWSA-N
SMILES:C[C@@]12[C@](\C(=C\C=C/3\C(=C)[C@@H](O[Si](C(C)(C)C)(C)C)C[C@H](O[Si](C(C)(C)C)(C)C)C3)\CCC1)(CC[C@@]2([C@@H](C=O)C)[H])[H]
Synonyms:
  • (1S,3R,5E,7E)-1,3-Bis[(tert-butyldimethylsilyl)oxy]-9,10-secopregna-5,7,10(19)-triene-20-carboxaldehyde
  • 1H-Indene-1-acetaldehyde, 4-[(2E)-[(3S,5R)-3,5-bis[[(1,1-dimethylethyl)dimethylsilyl]oxy]-2-methylenecyclohexylidene]ethylidene]octahydro-α,7a-dimethyl-, (αS,1R,3aS,4E,7aR)-
  • (αS,1R,3aS,4E,7aR)-4-[(2E)-2-[(3S,5R)-3,5-Bis[[(1,1-dimethylethyl)dimethylsilyl]oxy]-2-methylenecyclohexylidene]ethylidene]octahydro-α,7a-dimethyl-1H-indene-1-acetaldehyde
  • 1H-Indene-1-acetaldehyde, 4-[[3,5-bis[[(1,1-dimethylethyl)dimethylsilyl]oxy]-2-methylenecyclohexylidene]ethylidene]octahydro-α,7a-dimethyl-, [1R-[1α(S*),3aβ,4E(1E,3S*,5R*),7aα]]-
  • 1H-Indene-1-acetaldehyde, 4-[(2E)-2-[(3S,5R)-3,5-bis[[(1,1-dimethylethyl)dimethylsilyl]oxy]-2-methylenecyclohexylidene]ethylidene]octahydro-α,7a-dimethyl-, (αS,1R,3aS,4E,7aR)-
  • (2S)-2-[(1R,3aS,4E,7aR)-4-[(2E)-2-[(3S,5R)-3,5-Bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]propanal
  • (1S,3R,5E,7E)-1,3-Bis-[(tert-butyldiMethylsilyl)oxy]-9,10-secopregna-5,7,10-triene-20-carboxaldehyde
  • (αS,1R,3aS,4E,7aR)-4-[(2E)-[(3S,5R)-3,5-Bis[[(1,1-diMethylethyl)diMethylsilyl]oxy]-2-Methylenecyclohexylidene]ethylidene]octahydro-α,7a-diMethyl-1H-indene
  • (S)-2-((1R,3aS,7aR,E)-4-((E)-2-((3S,5R)-3,5-bis(tert-butyldiMethylsilyloxy)-2-Methylenecyclohexylidene)ethylidene)-7a-Methyloctahydro-1H-inden-1-yl)propanal
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