Magnolin - analytical standard, ≥98% , CAS No.31008-18-1

CAS: 31008-18-1 Cat. No.: M115695 Molecular Weight: 416.46
AVAILABLE TO ORDER
GRADE & PURITY Analytical standard ? Analytical standard — certified-purity material for quantitative calibration. Use to prepare calibration standards and validate analytical methods. ≥98%
Synonyms
UNII-95DA2NWV8P | (1S,3AR,4S,6AR)-1-(3,4-DIMETHOXYPHENYL)-4-(3,4,5-TRIMETHOXYPHENYL)-HEXAHYDROFURO(3,4-C)FURAN | Poloxalene L64 | (1S-(1.ALPHA.,3A.ALPHA.,4.ALPHA.,6A.ALPHA.))-1H,3H-FURO(3,4-C)FURAN, 1.ALPHA.-(3,4-DIMETHOXYPHENYL)-3A.ALPHA.,4,6,6A.ALPHA.-T
Storage
Room temperature
Shipped In
Normal
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
20mg
M115695-20mg
2
$118.90
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Why this grade

analytical standard, ≥98% Analytical standard for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Room temperature Ships Normal 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

Synonyms
UNII-95DA2NWV8P | (1S, 3AR, 4S, 6AR)-1-(3, 4-DIMETHOXYPHENYL)-4-(3, 4, 5-TRIMETHOXYPHENYL)-HEXAHYDROFURO(3, 4-C)FURAN | Poloxalene L64 | (1S-(1.ALPHA., 3A.ALPHA., 4.ALPHA., 6A.ALPHA.))-1H, 3H-FURO(3, 4-C)FURAN, 1.ALPHA.-(3, 4-DIMETHOXYPHENYL)-3A.ALPHA., 4, 6, 6A.ALPHA.-T
Specifications & Purity
analytical standard, ≥98%
Storage
Room temperature
Shipped In
Normal
Grade
Analytical standard
Purity
≥98%
Names and Identifiers
Canonical SmilesCOC1=C(C=C(C=C1)C2C3COC(C3CO2)C4=CC(=C(C(=C4)OC)OC)OC)OC
IUPAC Name(3S,3aR,6S,6aR)-3-(3,4-dimethoxyphenyl)-6-(3,4,5-trimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan
InChIKeyMFIHSKBTNZNJIK-RZTYQLBFSA-N
INCHI1S/C23H28O7/c1-24-17-7-6-13(8-18(17)25-2)21-15-11-30-22(16(15)12-29-21)14-9-19(26-3)23(28-5)20(10-14)27-4/h6-10,15-16,21-22H,11-12H2,1-5H3/t15-,16-,21+,22+/m0/s1
Isomeric SMILES COC1=C(C=C(C=C1)[C@@H]2[C@H]3CO[C@@H]([C@H]3CO2)C4=CC(=C(C(=C4)OC)OC)OC)OC
Molecular Weight 416.46
Reaxy-Rn 47796115
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=47796115&ln=

Documentation

📋 Safety Data Sheet (SDS)

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

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✅ Certificate of Analysis (COA)

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

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📊 Datasheet

Quick-reference summary of product specifications and applications.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

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Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassLignans, neolignans and related compounds
ClassFuranoid lignans
SubclassNot available
Intermediate Tree Nodes Not available
Direct ParentFuranoid lignans
Alternative Parents Furofuran lignans  Dimethoxybenzenes  Phenoxy compounds  Furofurans  Anisoles  Alkyl aryl ethers  Tetrahydrofurans  Oxacyclic compounds  Dialkyl ethers  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Furanoid lignan - Furofuran lignan skeleton - O-dimethoxybenzene - Dimethoxybenzene - Phenoxy compound - Anisole - Methoxybenzene - Furofuran - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Tetrahydrofuran - Organoheterocyclic compound - Ether - Dialkyl ether - Oxacycle - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic heteropolycyclic compound
DescriptionThis compound belongs to the class of organic compounds known as furanoid lignans. These are lignans with a structure that contains either a tetrahydrofuran ring, a furan ring, or a furofuan ring system, that arises from the joining of the two phenylpropanoid units.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
ACHE Tclin Acetylcholinesterase (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
ACHE Tclin Acetylcholinesterase (18204 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mechanisms of Action
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

1 results found

Lot NumberCertificate TypeDateItem
C1604180Certificate of AnalysisJun 05, 2023 M115695
Chemical and Physical Properties
Molecular Weight416.500 g/mol
XLogP32.900
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Exact Mass416.184 Da
Monoisotopic Mass416.184 Da
Topological Polar Surface Area64.599 Ų
Heavy Atom Count30
Formal Charge0
Complexity532.000
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Solution Calculators
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