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Pterosin C

CAT: 0013-GTR19157959-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19157959-01Size:100 mg
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Description
Pterosin C is a natural product isolated and purified from the rhizome Pteridium aquilinum (L.) Kuhn.
CAS Number
35938-43-3
Purity
>98% (HPLC)
Molecular Formula
C14H18O3
Molecular Weight
234.29
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.
Other Product Names
(2S,3S) -2,3-Dihydro-3-hydroxy-6- (2-hydroxyethyl) -2,5,7-trimethyl-1H-inden-1-one

Chemical Information

Pterosin C

(2S,3S)-pterosin C is a member of indanones. It has a role as a metabolite.

CAS Number35938-43-3
PubChem CID186209
IUPAC Name(2S,3S)-3-hydroxy-6-(2-hydroxyethyl)-2,5,7-trimethyl-2,3-dihydroinden-1-one
Molecular FormulaC14H18O3
Molecular Weight234.29
XLogP1.4
Topological Polar Surface Area57.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count17
Formal Charge0
Complexity302
SMILES
C[C@H]1[C@@H](C2=C(C1=O)C(=C(C(=C2)C)CCO)C)O
InChI
InChI=1S/C14H18O3/c1-7-6-11-12(8(2)10(7)4-5-15)14(17)9(3)13(11)16/h6,9,13,15-16H,4-5H2,1-3H3/t9-,13-/m0/s1
InChIKey
QQPCNRKHGFIVLH-ZANVPECISA-N
Chemical Structure
2D Structure
2D structure of Pterosin C
CAS: 35938-43-3
CID: 186209
Formula: C14H18O3
MW: 234.29
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight234.29
XLogP31.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass234.125594432
Monoisotopic Mass234.125594432
Topological Polar Surface Area57.5 Ų
Heavy Atom Count17
Formal Charge0
Complexity302
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

Related Products

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GTR19229128-01(2S,3S) -Pterosin S 14-O-glucoside
GTR19280235-01(2S,3R) -Pteroside C

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