Cas no 556014-15-4 (3,4',5,7-Tetrahydroxyflavanone; (2ξ,3ξ)-form, 3-(1ξ,8ξ,14ξ-Trimethylhexadecyl) ether)

3,4',5,7-Tetrahydroxyflavanone; (2ξ,3ξ)-form, 3-(1ξ,8ξ,14ξ-Trimethylhexadecyl) ether structure
556014-15-4 structure
Product Name:3,4',5,7-Tetrahydroxyflavanone; (2ξ,3ξ)-form, 3-(1ξ,8ξ,14ξ-Trimethylhexadecyl) ether
CAS No:556014-15-4
MF:C34H50O6
MW:554.757211208344
CID:6733435
Update Time:2024-03-03

3,4',5,7-Tetrahydroxyflavanone; (2ξ,3ξ)-form, 3-(1ξ,8ξ,14ξ-Trimethylhexadecyl) ether Chemical and Physical Properties

Names and Identifiers

    • Muscanone
    • 5,7,4'-Trihydroxy-3-O-(1,8,14-trimethylhexadecanyl)flavanone
    • 3,4',5,7-Tetrahydroxyflavanone; (2ξ,3ξ)-form, 3-(1ξ,8ξ,14ξ-Trimethylhexadecyl) ether
    • Inchi: 1S/C34H50O6/c1-5-23(2)13-10-8-11-15-24(3)14-9-6-7-12-16-25(4)39-34-32(38)31-29(37)21-28(36)22-30(31)40-33(34)26-17-19-27(35)20-18-26/h17-25,33-37H,5-16H2,1-4H3
    • InChI Key: ILVMIKCIKCNGTE-UHFFFAOYSA-N
    • SMILES: CCC(CCCCCC(CCCCCCC(OC1C(=O)C2C(=CC(=CC=2O)O)OC1C1C=CC(O)=CC=1)C)C)C

Computed Properties

  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 40
  • XLogP3: 10.199

3,4',5,7-Tetrahydroxyflavanone; (2ξ,3ξ)-form, 3-(1ξ,8ξ,14ξ-Trimethylhexadecyl) ether Related Literature

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