Basic information
- Standard SMILES
CCC(C#CCO[C@H](C)C1=CC[C@H]2C3=CC=C4C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H](O[Si](C)(C)C(C)(C)C)[C@]4(C)[C@H]3CC[C@]12C)(CC)O[Si](CC)(CC)CC- InChIKey
SOCHWPHVZYQFPQ-CNXOTTDHSA-N- Molecular formula
- C47H84O4Si3
- Average molar mass
- 797.4 g/mol
Names & identifiers
- Preferred name
- 1alpha,3beta-bis(tert-butyldimethylsilyloxy)-20(R)-(4-ethyl-4-triethylsilyloxy-2-hexynyloxy)pregna-5,7,16-triene
- IUPAC
- [6-[(1R)-1-[(1S,3R,9S,10R,13S,14S)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]-10,13-dimethyl-2,3,4,9,11,12,14,15-octahydro-1H-cyclopenta[a]phenanthren-17-yl]ethoxy]-3-ethylhex-4-yn-3-yl]oxy-triethylsilane
Names & synonyms
SCHEMBL7162578SOCHWPHVZYQFPQ-CNXOTTDHSA-N1alpha,3beta-bis(tert-butyldimethylsilyloxy)-20(R)-(4-ethyl-4-triethylsilyloxy-2-hexynyloxy)pregna-5,7,16-triene
Database identifiers
- PubChem CID
- 12020105
Properties
Computed structural properties
- Topological polar surface area
- 36.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 17
- Heavy atoms
- 54
- Formal charge
- 0
- Complexity
- 1,480
Related reactions
8 records
Compound notes
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