Shuterone B
Completing data — refresh the page later to see the latest
Basic information
- CAS
105454-03-3- Standard SMILES
C=C(C)[C@H]1Cc2c(cc3c(c2O)C(=O)[C@H](O)[C@H](c2ccc(O)cc2O)O3)O1- InChIKey
YCKRFEBXJFABIS-CWVNLOTRSA-N- Molecular formula
- C20H18O7
- Average molar mass
- 370.4 g/mol
- Monoisotopic mass
- 370.10525291
Names & identifiers
- Preferred name
- Shuterone B
- IUPAC
- (2R,6R,7S)-7-(2,4-dihydroxyphenyl)-4,6-dihydroxy-2-prop-1-en-2-yl-2,3,6,7-tetrahydrofuro[3,2-g]chromen-5-one
- English name
- (2R)-7α-(2,4-Dihydroxyphenyl)-2,3,6,7-tetrahydro-4,6α-dihydroxy-2β-(1-methylethenyl)-5H-furo[3,2-g][1]benzopyran-5-one
- Molecular formula
- C20H18O7
- Molecular weight
- 370.35
Names & synonyms
Shuterone B105454-03-3RefChem:182773(2R,6R,7S)-7-(2,4-dihydroxyphenyl)-4,6-dihydroxy-2-prop-1-en-2-yl-2,3,6,7-tetrahydrofuro[3,2-g]chromen-5-one(2R)-7alpha-(2,4-Dihydroxyphenyl)-2,3,6,7-tetrahydro-4,6alpha-dihydroxy-2beta-(1-methylethenyl)-5H-furo[3,2-g][(2R)-7α-(2,4-Dihydroxyphenyl)-2,3,6,7-tetrahydro-4,6α-dihydroxy-2β-(1-methylethenyl)-5H-furo[3,2-g][1]benzopyran-5-one5H-Furo[3,2-g][1]benzopyran-5-one, 7-(2,4-dihydroxyphenyl)-2,3,6,7-tetrahydro-4,6-dihydroxy-2-(1-methylethenyl)-, (2R,6R,7S)-
Database identifiers
- CAS
105454-03-3- PubChem CID
- 184491
- Nikkaji
- J230.927K
Properties
Computed structural propertiesFilling in
- XLogP
- 3.1
- Topological polar surface area
- 116 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 607
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…