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Pisatin - ≥95% , CAS No.469-01-2

Name: Pisatin - ≥95% , CAS No.469-01-2
SKU: P1045636
Availability: InStock

CAS: 469-01-2 Cat. No.: P1045636 PubChem CID: 101689

COA

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GRADE & PURITY ≥95%

Storage

Room temperature

Specifications Namen und Kennungen Documentation Advanced Data Taxonomic Classification 3D-Struktur Zertifikate (CoA, COO, BSE/TSE und Analyse-Diagramm) Chemische und physikalische Eigenschaften Lösungsrechner Bewertungen

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Why this grade

≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Room temperature Ships Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Spezifikationen & Reinheit

≥95%

Storage

Room temperature

Reinheit

≥95%

Namen und Kennungen

Kanonisches Lächeln	COC1=CC2=C(C=C1)C3C(CO2)(C4=CC5=C(C=C4O3)OCO5)O
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
InChIKey	LZMRDTLRSDRUSU-SJORKVTESA-N
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
Isomere SMILES	COC1=CC2=C(C=C1)[C@@H]3[C@](CO2)(C4=CC5=C(C=C4O3)OCO5)O
Alternative CAS-Nummer	469-01-2
PubChem CID	101689
MeSH-Eintrag	(+)-pisatin;(-)-pisatin;(S,S)-pisatin;pisatin;pisatin, (+)-;pisatin, (-)-;pisatin, (6aR-cis)-isomer;pisatin, (6aS-cis)-isomer

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Phenylpropanoids and polyketides
  - Klasse Isoflavonoids
    - Subclass Furanoisoflavonoids

Kingdom	Organic compounds
Superclass	Phenylpropanoids and polyketides
Klasse	Isoflavonoids
Subclass	Furanoisoflavonoids
Intermediate Tree Nodes	Not available
Direct Parent	Pterocarpans
Alternative Parents	Isoflavanols 1-benzopyrans Coumarans Benzofurans Benzodioxoles Anisoles Alkyl aryl ethers Tertiary alcohols Oxacyclic compounds Acetals Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Isoflavanol - Pterocarpan - Isoflavan - Chromane - Benzopyran - 1-benzopyran - Benzodioxole - Benzofuran - Coumaran - Anisole - Alkyl aryl ether - Benzenoid - Tertiary alcohol - Oxacycle - Ether - Acetal - Organoheterocyclic compound - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Alcohol - Aromatic heteropolycyclic compound
Beschreibung	This compound belongs to the class of organic compounds known as pterocarpans. These are benzo-pyrano-furano-benzene compounds, containing the 6H-[1]benzofuro[3,2-c]chromene skeleton. They are derivatives of isoflavonoids.
External Descriptors	Pterocarpans
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

3D-Struktur

Zertifikate (CoA, COO, BSE/TSE und Analyse-Diagramm)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemische und physikalische Eigenschaften

Molekulargewicht	314.290 g/mol
XLogP3	1.700
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	1
Exact Mass	314.079 Da
Monoisotopic Mass	314.079 Da
Topological Polar Surface Area	66.400 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	472.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

Lösungsrechner

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