Cubebin

• CAS: 18423-69-3
• Catalog Number: ACM18423693
• Category: Other Products
• Molecular Weight: 356.37
• Molecular Formula: C₂₀H₂₀O₆
• Synonyms: CUBEBIN;tetrahydro-3,4-dipiperonylfuran-2-ol;CUBEBIN(RG);3,4-Bis[(1,3-benzodioxol-5-yl)methyl]tetrahydrofuran-2-ol;[[3R,(-)]-3α,4β-Bis[(1,3-benzodioxole-5-yl)methyl]tetrahydrofuran]-2-ol;.beta.-Cubebin;2-Furanol, 3,4-bis(1,3-benzodioxol-5-ylmethyl)tetrahydro-, (2S,3R,4R)-;2-Furanol, tetrahydro-3,4-dipiperonyl-
• Melting Point: 131-132°C

Custom Q&A

What is the molecular formula of Cubebin?

The molecular formula of Cubebin is C20H20O6.

What is the molecular weight of Cubebin?

The molecular weight of Cubebin is 356.4 g/mol.

What are some synonyms for Cubebin?

Some synonyms for Cubebin include (-)-Cubebin, beta-cubebin, and .beta.-Cubebin.

Where is Cubebin found?

Cubebin is a natural product found in Piper nigrum, Aristolochia elegans, and other organisms.

What are the computed InChI and InChIKey of Cubebin?

The InChI of Cubebin is InChI=1S/C20H20O6/c21-20-15(6-13-2-4-17-19(8-13)26-11-24-17)14(9-22-20)5-12-1-3-16-18(7-12)25-10-23-16/h1-4,7-8,14-15,20-21H,5-6,9-11H2/t14-,15+,20-/m0/s1, and the InChIKey is DIYWRNLYKJKHAM-MDOVXXIYSA-N.

What is the Canonical SMILES of Cubebin?

The Canonical SMILES of Cubebin is C1C(C(C(O1)O)CC2=CC3=C(C=C2)OCO3)CC4=CC5=C(C=C4)OCO5.

What are some other identifiers for Cubebin?

Some other identifiers for Cubebin include CAS number 18423-69-3 and ChEMBL ID CHEMBL399831.

What is the XLogP3-AA value of Cubebin?

The XLogP3-AA value of Cubebin is 3.4.

How many hydrogen bond donor counts does Cubebin have?

Cubebin has 1 hydrogen bond donor count.

What is the topological polar surface area of Cubebin?

The topological polar surface area of Cubebin is 66.4 Å2.