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Phaseollidin

CAT: 1596-AR-P31060-02Size: 25 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-P31060-02Size:25 Units
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CAS Number
37831-70-2
Molecular Formula
C20H20O4
Molecular Weight
324.38
API Name
Phaseollidin

Chemical Information

Phaseollidin

Phaseollidin is a member of the class of pterocarpans that is (6aR,11aR)-pterocarpan substituted by hydroxy groups at positions 3 and 9 and a prenyl group at position 10.

CAS Number37831-70-2
PubChem CID119268
IUPAC Name(6aR,11aR)-10-(3-methylbut-2-enyl)-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene-3,9-diol
Molecular FormulaC20H20O4
Molecular Weight324.4
XLogP4.2
Topological Polar Surface Area58.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count24
Formal Charge0
Complexity486
SMILES
CC(=CCC1=C(C=CC2=C1O[C@@H]3[C@H]2COC4=C3C=CC(=C4)O)O)C
InChI
InChI=1S/C20H20O4/c1-11(2)3-5-14-17(22)8-7-13-16-10-23-18-9-12(21)4-6-15(18)20(16)24-19(13)14/h3-4,6-9,16,20-22H,5,10H2,1-2H3/t16-,20-/m0/s1
InChIKey
OFWYIUYVHYPQNX-JXFKEZNVSA-N
Chemical Structure
2D Structure
2D structure of Phaseollidin
CAS: 37831-70-2
CID: 119268
Formula: C20H20O4
MW: 324.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight324.4
XLogP34.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass324.13615911
Monoisotopic Mass324.13615911
Topological Polar Surface Area58.9 Ų
Heavy Atom Count24
Formal Charge0
Complexity486
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
GTR19201823-01Phaseollidin
HY-N3088-01Phaseollidin hydrate

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