Cnicin

• CAS: 24394-09-0
• Catalog Number: ACM24394090
• Category: Other Products
• Molecular Weight: 378.42
• Molecular Formula: C₂₀H₂₆O₇
• Synonyms: cnicine;-lactone,8-(3,4-dihydroxy-2-methylenebutyrate);CYNISIN;CNICIN;CENTAURIN;2,3,3a,4,5,8,9,11a-octahydro-10-(hydroxymethyl)-6-methyl-3-methylene-2-oxocyclodeca[b]furan-4-yl 3,4-dihydroxy-2-methylenebutyrate;(3R)-3,4-Dihydroxy-2-methylenebutyric acid (3aR,4S,6E,10Z,11aR)-2,3,3a,4,5,8,9,11a-octahydro-10-(hydroxymethyl)-6-methyl-3-methylene-2-oxocyclodeca[b]furan-4-yl ester;3,4-Dihydroxy-2-methylenebutanoic acid 2,3,3A,4,5,8,9,11A-octahydro-10-(hydroxymethyl)-6-methyl-3-methylene-2-oxocyclodeca[B]furan-4-yl ester
• Melting Point: 142-143°C
• Density: 1.27±0.1 g/cm³ (20 ºC 760 Torr)
• Safety Description: 22-24/25

Custom Q&A

What is the molecular formula of cnicin?

The molecular formula of cnicin is C20H26O7.

What is the molecular weight of cnicin?

The molecular weight of cnicin is 378.4 g/mol.

Where is cnicin found in nature?

Cnicin is a natural product found in Centaurea cuneifolia, Centaurea affinis, and other organisms with data available.

What is the IUPAC name of cnicin?

The IUPAC name of cnicin is [(3aR,4S,6E,10Z,11aR)-10-(hydroxymethyl)-6-methyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] (3R)-3,4-dihydroxy-2-methylidenebutanoate.

What is the Canonical SMILES of cnicin?

The Canonical SMILES of cnicin is CC1=CCCC(=CC2C(C(C1)OC(=O)C(=C)C(CO)O)C(=C)C(=O)O2)CO.

What is the InChIKey of cnicin?

The InChIKey of cnicin is ZTDFZLVUIVPZDU-QGNHJMHWSA-N.

What is the CAS number of cnicin?

The CAS number of cnicin is 24394-09-0.

How many hydrogen bond donor counts does cnicin have?

Cnicin has 3 hydrogen bond donor counts.

What is the XLogP3-AA value of cnicin?

The XLogP3-AA value of cnicin is 0.2.

What is the topological polar surface area of cnicin?

The topological polar surface area of cnicin is 113 Ų.