1alpha,3beta-Bis(tert-butyldimethylsilyloxy)-17-(5-triethylsilyloxy-5-methylhexylthiomethyl)androsta-5,7,16-triene
Basic information
- Standard SMILES
CC[Si](CC)(CC)OC(C)(C)CCCCSCC1=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- InChIKey
GEKKYTKUPFVRQW-JXGACFABSA-N- Molecular formula
- C45H84O3SSi3
- Average molar mass
- 789.5 g/mol
Names & identifiers
- Preferred name
- 1alpha,3beta-Bis(tert-butyldimethylsilyloxy)-17-(5-triethylsilyloxy-5-methylhexylthiomethyl)androsta-5,7,16-triene
- IUPAC
- [6-[[(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]methylsulfanyl]-2-methylhexan-2-yl]oxy-triethylsilane
Names & synonyms
SCHEMBL5995653GEKKYTKUPFVRQW-JXGACFABSA-N1alpha,3beta-Bis(tert-butyldimethylsilyloxy)-17-(5-triethylsilyloxy-5-methylhexylthiomethyl)androsta-5,7,16-triene1alpha,3beta-bis(tert-butyldimethylsilyloxy)-17-{5-(triethylsilyloxy)-5-methylhexylthiomethyl}androsta-5,7,16-triene
Database identifiers
- PubChem CID
- 69629705
Properties
Computed structural properties
- Topological polar surface area
- 53 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 18
- Heavy atoms
- 52
- Formal charge
- 0
- Complexity
- 1,320
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Related reactions
2 records
Compound notes
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