(1R-(1alpha,4abeta,4balpha,10aalpha))-(1,2,3,4,4a,4b,5,6,10,10a-Decahydro-7-isopropyl-1,4a-dimethyl-1-phenanthryl)methyl methacrylate
Basic information
- CAS
68877-48-5- Standard SMILES
C=C(C)C(=O)OC[C@]1(C)CCC[C@]2(C)[C@H]3CCC(C(C)C)=CC3=CC[C@@H]12- InChIKey
YNDOAFUHKLIVLW-HIGZBPRKSA-N- Molecular formula
- C24H36O2
- Average molar mass
- 356.5 g/mol
- Monoisotopic mass
- 356.27153039
Names & identifiers
- Preferred name
- (1R-(1alpha,4abeta,4balpha,10aalpha))-(1,2,3,4,4a,4b,5,6,10,10a-Decahydro-7-isopropyl-1,4a-dimethyl-1-phenanthryl)methyl methacrylate
- IUPAC
- [(1R,4aR,4bR,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthren-1-yl]methyl 2-methylprop-2-enoate
- English name
- [1R-(1alpha,4abeta,4balpha,10aalpha)]-[1,2,3,4,4a,4b,5,6,10,10a-decahydro-7-isopropyl-1,4a-dimethyl-1-phenanthryl]methyl methacrylate
- Molecular formula
- C24H36O2
- Molecular weight
- 356.54
Names & synonyms
68877-48-5(1R-(1alpha,4abeta,4balpha,10aalpha))-(1,2,3,4,4a,4b,5,6,10,10a-Decahydro-7-isopropyl-1,4a-dimethyl-1-phenanthryl)methyl methacrylateEINECS 272-562-7SCHEMBL9081869DTXSID80988579Abieta-7,13-dien-18-yl 2-methylprop-2-enoate2-Methylpropenoic acid [[(1R)-1,2,3,4,4a,4bα,5,6,10,10aα-decahydro-1,4aβ-dimethyl-7-(1-methylethyl)phenanthren]-1α-yl]methyl ester[1R-(1alpha,4abeta,4balpha,10aalpha)]-[1,2,3,4,4a,4b,5,6,10,10a-decahydro-7-isopropyl-1,4a-dimethyl-1-phenanthryl]methyl methacrylate
Database identifiers
- CAS
68877-48-5- PubChem CID
- 67767971
- DTXSID
DTXSID80988579- EC Number
- 272-562-7
- Nikkaji
- J332.658F
Properties
Computed structural properties
- XLogP
- 6.4
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 653
Physicochemical properties
- Boiling point
- 449.935 · 449.935±14.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.009 · 1.009±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
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Compound notes
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