Cas no 43043-09-0 (Forsythid)

Forsythid structure
Forsythid structure
Product Name:Forsythid
CAS No:43043-09-0
MF:C16H22O11
MW:390.339286327362
CID:2004722
PubChem ID:15559328
Update Time:2025-04-21

Forsythid Chemical and Physical Properties

Names and Identifiers

    • Forsythid
    • (1S)-1α-(β-D-Glucopyranosyloxy)-1,4aα,5,6,7,7aα-hexahydrocyclopenta[c]pyran-4,7α-dicarboxylic acid
    • (1S,4aS,7S,7aS)-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4,7-dicarboxylic acid
    • (1S,4AS,7S,7ar)-1-{[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4ah,5H,6H,7H,7ah-cyclopenta[c]pyran-4,7-dicarboxylate
    • (1S,4aS,7S,7aS)-1-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy-1,4a,5,6,7,7a-hexahydrocyclopenta(c)pyran-4,7-dicarboxylic acid
    • 43043-09-0
    • (1S,4AS,7S,7ar)-1-(((2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy)-1H,4ah,5H,6H,7H,7ah-cyclopenta(c)pyran-4,7-dicarboxylate
    • Forsythide
    • Inchi: 1S/C16H22O11/c17-3-8-10(18)11(19)12(20)16(26-8)27-15-9-5(1-2-6(9)13(21)22)7(4-25-15)14(23)24/h4-6,8-12,15-20H,1-3H2,(H,21,22)(H,23,24)
    • InChI Key: CBXLCEGPMWRVQS-UHFFFAOYSA-N
    • SMILES: O=C(C1C2C(C(CC2)C(O)=O)C(OC2C(O)C(O)C(O)C(CO)O2)OC=1)O

Computed Properties

  • Exact Mass: 390.11621151Da
  • Monoisotopic Mass: 390.11621151Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 6
  • Hydrogen Bond Acceptor Count: 11
  • Heavy Atom Count: 27
  • Rotatable Bond Count: 5
  • Complexity: 619
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 9
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: -1.417
  • Topological Polar Surface Area: 183?2
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