1,1-Dimethylethyl (βS,εS,3aS,4S,6S,7aR)-ε-chloro-β-[[(1,1-dimethylethyl)dimethylsilyl]oxy]hexahydro-3a,5,5-trimethyl-4,6-methano-1,3,2-benzodioxaborole-2-hexanoate

CAS Registry Number®

1681053-96-2
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CAS Name

1,1-Dimethylethyl (βS,εS,3aS,4S,6S,7aR)-ε-chloro-β-[[(1,1-dimethylethyl)dimethylsilyl]oxy]hexahydro-3a,5,5-trimethyl-4,6-methano-1,3,2-benzodioxaborole-2-hexanoate

Molecular Formula

C26H48BClO5Si

Molecular Mass

515.01

Cite this Page

1,1-Dimethylethyl (βS,εS,3aS,4S,6S,7aR)-ε-chloro-β-[[(1,1-dimethylethyl)dimethylsilyl]oxy]hexahydro-3a,5,5-trimethyl-4,6-methano-1,3,2-benzodioxaborole-2-hexanoate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1681053-96-2 (retrieved 2024-09-10) (CAS RN: 1681053-96-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C26H48BClO5Si/c1-23(2,3)30-22(29)16-18(32-34(10,11)24(4,5)6)12-13-21(28)27-31-20-15-17-14-19(25(17,7)8)26(20,9)33-27/h17-21H,12-16H2,1-11H3/t17-,18-,19-,20+,21+,26-/m0/s1

InChIKey

InChIKey=IGECAYLIZBERQG-LZZOSOCDSA-N

SMILES

C[C@]12[C@@]3(C(C)(C)[C@@](C3)(C[C@]1(OB([C@@H](CC[C@@H](CC(OC(C)(C)C)=O)O[Si](C(C)(C)C)(C)C)Cl)O2)[H])[H])[H]

Canonical SMILES

O=C(OC(C)(C)C)CC(O[Si](C)(C)C(C)(C)C)CCC(Cl)B1OC2CC3CC(C2(O1)C)C3(C)C

Other Names for this Substance

  • 4,6-Methano-1,3,2-benzodioxaborole-2-hexanoic acid, ε-chloro-β-[[(1,1-dimethylethyl)dimethylsilyl]oxy]hexahydro-3a,5,5-trimethyl-, 1,1-dimethylethyl ester, (βS,εS,3aS,4S,6S,7aR)-
  • 1,1-Dimethylethyl (βS,εS,3aS,4S,6S,7aR)-ε-chloro-β-[[(1,1-dimethylethyl)dimethylsilyl]oxy]hexahydro-3a,5,5-trimethyl-4,6-methano-1,3,2-benzodioxaborole-2-hexanoate