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(+) -Pisatin

CAT: 0013-GTR19277774-02Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19277774-02Size:2 mg
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Description
(+) -Pisatin is a high-purity biochemical reagent suitable for biochemical experiments and drug synthesis research.
CAS Number
469-01-2
Smiles
[H][C@]12OC3=C (C=C4OCOC4=C3) [C@@]1 (O) COC1=CC (OC) =CC=C21
Molecular Formula
C17H14O6
Molecular Weight
314.29
Notes
For research use only.

Chemical Information

(+)-Pisatin

(+)-pisatin is a member of the class of pterocarpans that is the 3-O-methyl ether of (+)-6a-hydroxymaackiain (the 6aR,12aR stereoisomer). A phytoalexin found in pods of garden peas (Pisum sativum) and other plants of the pea family, including Tephrosia candida. It has a role as a phytoalexin and a plant metabolite. It is a member of pterocarpans, a tertiary alcohol and an aromatic ether. It is functionally related to a (+)-6a-hydroxymaackiain.

CAS Number469-01-2
PubChem CID101689
IUPAC Name(1R,12R)-16-methoxy-5,7,11,19-tetraoxapentacyclo[10.8.0.02,10.04,8.013,18]icosa-2,4(8),9,13(18),14,16-hexaen-1-ol
Molecular FormulaC17H14O6
Molecular Weight314.29
XLogP1.7
Topological Polar Surface Area66.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count1
Heavy Atom Count23
Formal Charge0
Complexity472
SMILES
COC1=CC2=C(C=C1)[C@@H]3[C@](CO2)(C4=CC5=C(C=C4O3)OCO5)O
InChI
InChI=1S/C17H14O6/c1-19-9-2-3-10-12(4-9)20-7-17(18)11-5-14-15(22-8-21-14)6-13(11)23-16(10)17/h2-6,16,18H,7-8H2,1H3/t16-,17+/m1/s1
InChIKey
LZMRDTLRSDRUSU-SJORKVTESA-N
Chemical Structure
2D Structure
2D structure of (+)-Pisatin
CAS: 469-01-2
CID: 101689
Formula: C17H14O6
MW: 314.29
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight314.29
XLogP31.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count1
Exact Mass314.07903816
Monoisotopic Mass314.07903816
Topological Polar Surface Area66.4 Ų
Heavy Atom Count23
Formal Charge0
Complexity472
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
VAA18622-01(-) -Pisatin
TN4800Pisatin
HY-N3045-01(S, S) -Pisatin
MBS1295150Recombinant Fusarium solani subsp. pisi Pisatin demethylase (PDAT9), partial
MBS1234241Recombinant Fusarium solani subsp. pisi Pisatin demethylase (PDA6-1), partial

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