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Spiranthol A

CAT: 0013-GTR19164391Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19164391Size:5 mg
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Description
Spiranthol A is a compound with a purity of > 98%, a CAS number of 126192-35-6, and a molecular weight of 310.39.
CAS Number
126192-35-6
Purity
> 98%
Molecular Formula
C20H22O3
Molecular Weight
310.39
Notes
For research use only.
Applications Notes
Phenols

Chemical Information

Spiranthol A

Spiranthol A has been reported in Spiranthes vernalis and Spiranthes sinensis with data available.

CAS Number126192-35-6
PubChem CID10018282
IUPAC Name7-methoxy-1-(3-methylbut-2-enyl)-9,10-dihydrophenanthrene-2,5-diol
Molecular FormulaC20H22O3
Molecular Weight310.4
XLogP5
Topological Polar Surface Area49.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count23
Formal Charge0
Complexity429
SMILES
CC(=CCC1=C(C=CC2=C1CCC3=C2C(=CC(=C3)OC)O)O)C
InChI
InChI=1S/C20H22O3/c1-12(2)4-6-16-15-7-5-13-10-14(23-3)11-19(22)20(13)17(15)8-9-18(16)21/h4,8-11,21-22H,5-7H2,1-3H3
InChIKey
RXGNSLYFKVUHDD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Spiranthol A
CAS: 126192-35-6
CID: 10018282
Formula: C20H22O3
MW: 310.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight310.4
XLogP35
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass310.15689456
Monoisotopic Mass310.15689456
Topological Polar Surface Area49.7 Ų
Heavy Atom Count23
Formal Charge0
Complexity429
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

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