23-Oxospirostan-3-yl acetate
Basic information
- CAS
35319-92-7- Standard SMILES
CC(=O)OC1CC[C@@]2(C)C(CC[C@H]3[C@@H]4C[C@@H]5O[C@@]6(OCC(C)CC6=O)[C@@H](C)[C@@H]5[C@@]4(C)CC[C@@H]32)C1- InChIKey
TUJVKSOFWMFECQ-HVQUYVEUSA-N- Molecular formula
- C29H44O5
- Average molar mass
- 472.7 g/mol
- Monoisotopic mass
- 472.3188745
Names & identifiers
- Preferred name
- 23-Oxospirostan-3-yl acetate
- IUPAC
- [(1R,2S,4S,6S,7S,8R,9S,12S,13S)-5',7,9,13-tetramethyl-3'-oxospiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-yl] acetate
- English name
- 23-Oxospirostan-3-yl acetate
- Molecular formula
- C29H44O5
- Molecular weight
- 472.66
Names & synonyms
35319-92-723-Oxospirostan-3-yl acetateDTXSID00624503
Database identifiers
- CAS
35319-92-7- PubChem CID
- 22296263
- DTXSID
DTXSID00624503
Properties
Computed structural properties
- XLogP
- 6.1
- Topological polar surface area
- 61.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 871
Physicochemical properties
- Melting point
- 168 · 168-170 °C
- Boiling point
- 557.546 · 557.546±50.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.156 · 1.156±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
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Related reactions
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Compound notes
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