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Bidwillol A

CAT: 0926-LGA09942-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0926-LGA09942-02Size:10 mg
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CAS Number
161099-42-9
MDL Number
MFCD23103561
Smiles
CC (=CCC1=C (C=CC (=C1OC) C2=CC3=C (C=C (C=C3) O) OC2) O) C
Molecular Formula
C21H22O4
Molecular Weight
338.4 g/mol
Controlled
No

Chemical Information

Bidwillol A

3-[4-hydroxy-2-methoxy-3-(3-methylbut-2-en-1-yl)phenyl]-2H-chromen-7-ol has been reported in Erythrina burttii, Erythrina herbacea, and Erythrina variegata with data available.

CAS Number161099-42-9
PubChem CID10042759
IUPAC Name3-[4-hydroxy-2-methoxy-3-(3-methylbut-2-enyl)phenyl]-2H-chromen-7-ol
Molecular FormulaC21H22O4
Molecular Weight338.4
XLogP4.6
Topological Polar Surface Area58.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count25
Formal Charge0
Complexity508
SMILES
CC(=CCC1=C(C=CC(=C1OC)C2=CC3=C(C=C(C=C3)O)OC2)O)C
InChI
InChI=1S/C21H22O4/c1-13(2)4-7-18-19(23)9-8-17(21(18)24-3)15-10-14-5-6-16(22)11-20(14)25-12-15/h4-6,8-11,22-23H,7,12H2,1-3H3
InChIKey
CBCNITCGKSLSCT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Bidwillol A
CAS: 161099-42-9
CID: 10042759
Formula: C21H22O4
MW: 338.4
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight338.4
XLogP34.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass338.15180918
Monoisotopic Mass338.15180918
Topological Polar Surface Area58.9 Ų
Heavy Atom Count25
Formal Charge0
Complexity508
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
GTR19180248Bidwillol A

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