Shuterol
Basic information
- CAS
105377-76-2- Standard SMILES
C=C(C)[C@H]1Cc2c(cc3c(c2O)C(=O)[C@H](O)[C@@H](c2ccc(O)cc2)O3)O1- InChIKey
SSLFFCGTMHUDHS-CAYVGHNUSA-N- Molecular formula
- C20H18O6
- Average molar mass
- 354.4 g/mol
- Monoisotopic mass
- 354.11033829
Names & identifiers
- Preferred name
- Shuterol
- IUPAC
- (2R,6R,7R)-4,6-dihydroxy-7-(4-hydroxyphenyl)-2-prop-1-en-2-yl-2,3,6,7-tetrahydrofuro[3,2-g]chromen-5-one
- English name
- (2R)-2,3,6,7-Tetrahydro-4,6α-dihydroxy-7β-(4-hydroxyphenyl)-2β-(1-methylethenyl)-5H-furo[3,2-g][1]benzopyran-5-one
- Molecular formula
- C20H18O6
- Molecular weight
- 354.35
Names & synonyms
Shuterol105377-76-2RefChem:1827715H-Furo(3,2-g)(1)benzopyran-5-one, 2,3,6,7-tetrahydro-4,6-dihydroxy-7-(4-hydroxyphenyl)-2-(1-methylethenyl)-, (2R-(2alpha,6beta,7alpha))-(2R,6R,7R)-4,6-dihydroxy-7-(4-hydroxyphenyl)-2-prop-1-en-2-yl-2,3,6,7-tetrahydrofuro[3,2-g]chromen-5-oneDTXSID90909477(2R)-2,3,6,7-Tetrahydro-4,6alpha-dihydroxy-7beta-(4-hydroxyphenyl)-2beta-(1-methylethenyl)-5H-furo[3,2-g][1]be(2R,6R,7R)-4,6-Dihydroxy-7-(4-hydroxyphenyl)-2-(prop-1-en-2-yl)-2,3,6,7-tetrahydro-5H-furo[3,2-g][1]benzopyran-5-one4,6-Dihydroxy-7-(4-hydroxyphenyl)-2-(prop-1-en-2-yl)-2,3,6,7-tetrahydro-5H-furo[3,2-g][1]benzopyran-5-one5H-Furo(3,2-g)(1)benzopyran-5-one, 2,3,6,7-tetrahydro-4,6-dihydroxy-7-(4-hydroxyphenyl)-2-(1-methylethenyl)-, (2R-(2alpha,6beta,7alpha))-(2R)-2,3,6,7-Tetrahydro-4,6α-dihydroxy-7β-(4-hydroxyphenyl)-2β-(1-methylethenyl)-5H-furo[3,2-g][1]benzopyran-5-one5H-Furo[3,2-g][1]benzopyran-5-one, 2,3,6,7-tetrahydro-4,6-dihydroxy-7-(4-hydroxyphenyl)-2-(1-methylethenyl)-, (2R,6R,7R)-
Database identifiers
- CAS
105377-76-2- PubChem CID
- 184476
- DTXSID
DTXSID90909477- Nikkaji
- J230.925D
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 96.2 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 569
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Compound notes
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