Latisxanthone C , CAS No.197447-32-8

CAS: 197447-32-8 Cat. No.: L956736 PubChem CID: 10790224

Storage

Room temperature

Specifications

Storage

Room temperature

Names and Identifiers

Canonical Smiles

CC(=CCC1=C(C(=C2C(=C1O)C(=O)C3=C(O2)C(=C4C(=C3)C=CC(O4)(C)C)O)CC=C(C)C)O)C

IUPAC Name

7,9,12-trihydroxy-2,2-dimethyl-8,10-bis(3-methylbut-2-enyl)pyrano[3,2-b]xanthen-6-one

InChIKey

PZWBBMGLWODZNF-UHFFFAOYSA-N

INCHI

1S/C28H30O6/c1-14(2)7-9-17-21(29)18(10-8-15(3)4)26-20(22(17)30)23(31)19-13-16-11-12-28(5,6)34-25(16)24(32)27(19)33-26/h7-8,11-13,29-30,32H,9-10H2,1-6H3

Isomeric SMILES

CC(=CCC1=C(C(=C2C(=C1O)C(=O)C3=C(O2)C(=C4C(=C3)C=CC(O4)(C)C)O)CC=C(C)C)O)C

PubChem CID

10790224

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Benzopyrans
      • Subclass 1-benzopyrans
        • Level5 Dibenzopyrans
          • Level6 Xanthenes
            • Level7 Xanthones
              • Level8 4-prenylated xanthones

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Benzopyrans
• Subclass: 1-benzopyrans
• Intermediate Tree Nodes: Dibenzopyrans - Xanthenes - Xanthones
• Direct Parent: 4-prenylated xanthones
• Alternative Parents: 2-prenylated xanthones Pyranoxanthones Pyranochromenes 2,2-dimethyl-1-benzopyrans Chromones Pyranones and derivatives Alkyl aryl ethers 1-hydroxy-4-unsubstituted benzenoids Vinylogous acids Heteroaromatic compounds Polyols Oxacyclic compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 2-prenylated xanthone - 4-prenylated xanthone - Pyranoxanthone - Pyranochromene - 2,2-dimethyl-1-benzopyran - Chromone - Alkyl aryl ether - 1-hydroxy-4-unsubstituted benzenoid - Phenol - Pyranone - Pyran - Benzenoid - Heteroaromatic compound - Vinylogous acid - Ether - Polyol - Oxacycle - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as 4-prenylated xanthones. These are organic compounds containing a C5-isoprenoid group linked to a xanthone moiety at the 4-position. Xanthone is a tricyclic compound made up of two benzene rings linearly fused to each other through a pyran ring that carries a ketone group.
• External Descriptors: Not available

Data sources

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

Chemical and Physical Properties

• Molecular Weight: 462.500 g/mol
• XLogP3: 7.200
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 462.204 Da
• Monoisotopic Mass: 462.204 Da
• Topological Polar Surface Area: 96.200 Ų
• Heavy Atom Count: 34
• Formal Charge: 0
• Complexity: 864.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• 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

Frequently Asked Questions

How should this product be stored?

Store at room temperature.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 197447-32-8. InChIKey PZWBBMGLWODZNF-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.