Dihydrocubebin , CAS No.24563-03-9

CAS: 24563-03-9 Cat. No.: D668131 Summenformel: C20H22O6 Molekulargewicht: 358.4 PubChem CID: 193042
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Synonyms
Dihydrocubebin | (-)-Dihydrocubebin | (2R,3R)-2,3-bis(1,3-benzodioxol-5-ylmethyl)butane-1,4-diol | CHEBI:543841 | 1,4-Butanediol, 2,3-bis(1,3-benzodioxol-5-ylmethyl)-, (2R,3R)- | 1,4-Butanediol, 2,3-bis(1,3-benzodioxol-5-ylmethyl)-, (R-(R*,R*))- | 1,4-But
Storage
Room temperature
★
Size
Deutschland (EU)
USA*
Price
Qty
1mg
D668131-1mg
Auf Bestellung · 8–12 Wochen

496,26€

744,43€
Speichern 248,17 € (33.34%)
5mg
D668131-5mg
Auf Bestellung · 8–12 Wochen

1.735,39€

2.603,13€
Speichern 867,74 € (33.33%)
Enter a quantity for the sizes you want to add.
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Why this grade

for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

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

📋

Quality documents

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

📚

Literature proof

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

Specifications

Synonyme
Dihydrocubebin | (-)-Dihydrocubebin | (2R,3R)-2,3-bis(1,3-benzodioxol-5-ylmethyl)butane-1,4-diol | CHEBI:543841 | 1,4-Butanediol, 2,3-bis(1,3-benzodioxol-5-ylmethyl)-, (2R,3R)- | 1,4-Butanediol, 2,3-bis(1,3-benzodioxol-5-ylmethyl)-, (R-(R*,R*))- | 1,4-But
Storage
Room temperature
Aktionsart
INHIBITOR
Produkteigenschaften
ALogP
2.9
Namen und Kennungen
Kanonisches Lächeln
C1OC2=C(O1)C=C(C=C2)CC(CO)C(CC3=CC4=C(C=C3)OCO4)CO
IUPAC Name
(2R,3R)-2,3-bis(1,3-benzodioxol-5-ylmethyl)butane-1,4-diol
InChIKey
JKCVMTYNARDGET-HOTGVXAUSA-N
INCHI
1S/C20H22O6/c21-9-15(5-13-1-3-17-19(7-13)25-11-23-17)16(10-22)6-14-2-4-18-20(8-14)26-12-24-18/h1-4,7-8,15-16,21-22H,5-6,9-12H2/t15-,16-/m0/s1
Isomere SMILES
C1OC2=C(O1)C=C(C=C2)C[C@@H](CO)[C@@H](CC3=CC4=C(C=C3)OCO4)CO
PubChem CID
193042
Molekulargewicht
358.4

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

KingdomOrganic compounds
SuperclassLignans, neolignans and related compounds
KlasseDibenzylbutane lignans
SubclassDibenzylbutanediol lignans
Intermediate Tree Nodes Not available
Direct ParentDibenzylbutanediol lignans
Alternative Parents Benzodioxoles  Benzenoids  Oxacyclic compounds  Acetals  Primary alcohols  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Dibenzylbutanediol - Benzodioxole - Benzenoid - Oxacycle - Organoheterocyclic compound - Acetal - Organic oxygen compound - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Alcohol - Aromatic heteropolycyclic compound
BeschreibungThis compound belongs to the class of organic compounds known as dibenzylbutanediol lignans. These are lignan compounds containing a 2,3-dibenzylbutane-1,4-diol moiety.
External Descriptors Lignans
3D-Struktur
Interaktives chemisches Strukturmodell





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Wirkungsmechanismen
Zertifikate (CoA, COO, BSE/TSE und Analyse-Diagramm)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemische und physikalische Eigenschaften
Molekulargewicht358.400 g/mol
XLogP32.900
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Exact Mass358.142 Da
Monoisotopic Mass358.142 Da
Topological Polar Surface Area77.400 Ų
Heavy Atom Count26
Formal Charge0
Complexity406.000
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Lösungsrechner
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