(1'R,2'S,3R,4'S,6R,7'S,8'R,9'S,12'S,13'S,18'R)-3,7',9',13'-tetramethylspiro[2,3-dihydropyran-6,6'-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane]
Basic information
- CAS
24744-29-4- Standard SMILES
C[C@@H]1C=C[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC[C@H]5CCCC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C- InChIKey
PARRMYWRNNNBCX-PDWAGFGXSA-N- Molecular formula
- C27H42O2
- Average molar mass
- 398.6 g/mol
Names & identifiers
- Preferred name
- (1'R,2'S,3R,4'S,6R,7'S,8'R,9'S,12'S,13'S,18'R)-3,7',9',13'-tetramethylspiro[2,3-dihydropyran-6,6'-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane]
- IUPAC
- (1'R,2'S,3R,4'S,6R,7'S,8'R,9'S,12'S,13'S,18'R)-3,7',9',13'-tetramethylspiro[2,3-dihydropyran-6,6'-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane]
- English name
- (25R)-5α-Spirost-23-ene
- Molecular formula
- C27H42O2
- Molecular weight
- 398.62
Names & synonyms
(25R)-5α-Spirost-23-eneSpirost-23-ene, (5α,25R)- (9CI)
Database identifiers
- CAS
24744-29-4- Nikkaji
- J121.728C
Properties
Computed structural properties
- XLogP
- 7.9
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 701
Physicochemical properties
- Boiling point
- 482.424 · 482.424±45.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.078 · 1.078±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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