Cas no 52706-07-7 (Scillascillin)

Scillascillin structure
Scillascillin structure
Product Name:Scillascillin
CAS No:52706-07-7
MF:C17H12O6
MW:312.273585319519
CID:837239
PubChem ID:133561796
Update Time:2025-04-19

Scillascillin Chemical and Physical Properties

Names and Identifiers

    • Scillascillin
    • (3R)-5,7-Dihydroxy-4H,6'H-spiro[chromene-3,5'-cyclobuta[f][1,3]be nzodioxol]-4-one
    • [ "" ]
    • CHEMBL4468097
    • AKOS040762314
    • 52706-07-7
    • FS-9975
    • AKOS032948761
    • CS-0016655
    • HY-N1252
    • (R)-5,7-Dihydroxyspiro[2H-1-benzopyran-3(4H),5'(6'H)-cyclobuta[f][1,3]benzodioxol]-4-one
    • Inchi: 1S/C17H12O6/c18-9-2-11(19)15-14(3-9)21-6-17(16(15)20)5-8-1-12-13(4-10(8)17)23-7-22-12/h1-4,18-19H,5-7H2/t17-/m0/s1
    • InChI Key: SAXOGBBWXWKZKR-KRWDZBQOSA-N
    • SMILES: O1C2C=C(C=C(C=2C([C@@]2(C1)C1C=C3C(=CC=1C2)OCO3)=O)O)O

Computed Properties

  • Exact Mass: 312.06338810g/mol
  • Monoisotopic Mass: 312.06338810g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 23
  • Rotatable Bond Count: 0
  • Complexity: 523
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 1
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 85.2?2
  • XLogP3: 1.6

Experimental Properties

  • Color/Form: Powder
  • PSA: 85.22000
  • LogP: 1.89570

Scillascillin Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
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