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Glabrol

CAT: 0127-BUP00303-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP00303-02Size:5 mg
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CAS Number
59870-65-4
Purity
=98%
Smiles
CC(C)=CCc1cc(ccc1O)[C@@H]1CC(=O)c2ccc(O)c(CC=C(C)C)c2O1

Chemical Information

Glabrol

Glabrol is a member of flavanones.

CAS Number59870-65-4
PubChem CID11596309
IUPAC Name(2S)-7-hydroxy-2-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]-8-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
Molecular FormulaC25H28O4
Molecular Weight392.5
XLogP6
Topological Polar Surface Area66.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count29
Formal Charge0
Complexity629
SMILES
CC(=CCC1=C(C=CC(=C1)[C@@H]2CC(=O)C3=C(O2)C(=C(C=C3)O)CC=C(C)C)O)C
InChI
InChI=1S/C25H28O4/c1-15(2)5-7-17-13-18(8-11-21(17)26)24-14-23(28)20-10-12-22(27)19(25(20)29-24)9-6-16(3)4/h5-6,8,10-13,24,26-27H,7,9,14H2,1-4H3/t24-/m0/s1
InChIKey
CUFAXDWQDQQKFF-DEOSSOPVSA-N
Chemical Structure
2D Structure
2D structure of Glabrol
CAS: 59870-65-4
CID: 11596309
Formula: C25H28O4
MW: 392.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight392.5
XLogP36
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass392.19875937
Monoisotopic Mass392.19875937
Topological Polar Surface Area66.8 Ų
Heavy Atom Count29
Formal Charge0
Complexity629
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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