6,6',7,7'-Tetrahydroxy-4,4,4',4'-tetramethyl-2,2'-spirobichroman - ≥98% , CAS No.32737-35-2

CAS: 32737-35-2 Cat. No.: T161691 Molecular Weight: 372.42 Beilstein Registry Number: 19(3/4)1324 PubChem CID: 350598

GRADE & PURITY ≥98%

Synonyms

AKOS025295150 | T1791 | SCHEMBL2548277 | NSC512920 | NSC-512920 | AS-71174 | 4,4,4',4'-tetramethyl-2,2'-spirobi[3H-chromene]-6,6',7,7'-tetrol | MFCD00627043 | A875523 | 4,4,4',4'-Tetramethyl-2,2'-spirobi[chroman]-6,6',7,7'-tetraol, AldrichCPR | D92528 | 4

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

AKOS025295150 | T1791 | SCHEMBL2548277 | NSC512920 | NSC-512920 | AS-71174 | 4, 4, 4', 4'-tetramethyl-2, 2'-spirobi[3H-chromene]-6, 6', 7, 7'-tetrol | MFCD00627043 | A875523 | 4, 4, 4', 4'-Tetramethyl-2, 2'-spirobi[chroman]-6, 6', 7, 7'-tetraol, AldrichCPR | D92528 | 4

Specifications & Purity

≥98%

Storage

Store at 2-8°C

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

• Canonical Smiles: CC1(CC2(CC(C3=CC(=C(C=C3O2)O)O)(C)C)OC4=CC(=C(C=C41)O)O)C
• IUPAC Name: 4,4,4',4'-tetramethyl-2,2'-spirobi[3H-chromene]-6,6',7,7'-tetrol
• InChIKey: SZUGPQFFJXSTDD-UHFFFAOYSA-N
• INCHI: 1S/C21H24O6/c1-19(2)9-21(26-17-7-15(24)13(22)5-11(17)19)10-20(3,4)12-6-14(23)16(25)8-18(12)27-21/h5-8,22-25H,9-10H2,1-4H3
• Isomeric SMILES: CC1(CC2(CC(C3=CC(=C(C=C3O2)O)O)(C)C)OC4=CC(=C(C=C41)O)O)C
• PubChem CID: 350598
• Molecular Weight: 372.42
• Beilstein: 19(3/4)1324
• Reaxy-Rn: 48511

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Benzopyrans
      • Subclass 1-benzopyrans

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Benzopyrans
• Subclass: 1-benzopyrans
• Intermediate Tree Nodes: Not available
• Direct Parent: 1-benzopyrans
• Alternative Parents: Ketals 1-hydroxy-2-unsubstituted benzenoids Polyols Oxacyclic compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 1-benzopyran - 1-hydroxy-2-unsubstituted benzenoid - Ketal - Benzenoid - Oxacycle - Polyol - Acetal - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as 1-benzopyrans. These are organic aromatic compounds that 1-benzopyran, a bicyclic compound made up of a benzene ring fused to a pyran, so that the oxygen atom is at the 1-position.
• 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

• Sensitivity: Air and moisture sensitive
• Molecular Weight: 372.400 g/mol
• XLogP3: 4.700
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 0
• Exact Mass: 372.157 Da
• Monoisotopic Mass: 372.157 Da
• Topological Polar Surface Area: 99.400 Ų
• Heavy Atom Count: 27
• Formal Charge: 0
• Complexity: 525.000
• 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