Cas no 83652-16-8 (2H-Pyran-2-one,tetrahydro-4-hydroxy-6-[4,8,12-trihydroxy-15-(hydroxymethyl)-11,13,17,19,21-pentamethyl-1,5,9,13,15-tricosapentaenyl]-(9CI))

2H-Pyran-2-one,tetrahydro-4-hydroxy-6-[4,8,12-trihydroxy-15-(hydroxymethyl)-11,13,17,19,21-pentamethyl-1,5,9,13,15-tricosapentaenyl]-(9CI) structure
83652-16-8 structure
Product Name:2H-Pyran-2-one,tetrahydro-4-hydroxy-6-[4,8,12-trihydroxy-15-(hydroxymethyl)-11,13,17,19,21-pentamethyl-1,5,9,13,15-tricosapentaenyl]-(9CI)
CAS No:83652-16-8
MF:C34H56O7
MW:576.804251670837
CID:725505
PubChem ID:6439665
Update Time:2025-04-19

2H-Pyran-2-one,tetrahydro-4-hydroxy-6-[4,8,12-trihydroxy-15-(hydroxymethyl)-11,13,17,19,21-pentamethyl-1,5,9,13,15-tricosapentaenyl]-(9CI) Chemical and Physical Properties

Names and Identifiers

    • 2H-Pyran-2-one,tetrahydro-4-hydroxy-6-[4,8,12-trihydroxy-15-(hydroxymethyl)-11,13,17,19,21-pentamethyl-1,5,9,13,15-tricosapentaenyl]-(9CI)
    • 4-hydroxy-6-[(1E,5E,9E,13E,15Z)-4,8,12-trihydroxy-15-(hydroxymethyl)-11,13,17,19,21-pentamethyltricosa-1,5,9,13,15-pentaenyl]oxan-2-one
    • Phomenolactone
    • CHEBI:214364
    • 83652-16-8
    • 2H-Pyran-2-one, tetrahydro-4-hydroxy-6-(4,8,12-trihydroxy-15-(hydroxymethyl)-11,13,17,19,21-pentamethyl-1,5,9,13,15-tri-cosapentaenyl)-
    • Inchi： 1S/C34H56O7/c1-7-23(2)16-24(3)17-25(4)18-28(22-35)19-27(6)34(40)26(5)14-15-30(37)11-8-10-29(36)12-9-13-32-20-31(38)21-33(39)41-32/h8-10,13-15,18-19,23-26,29-32,34-38,40H,7,11-12,16-17,20-22H2,1-6H3/b10-8+,13-9+,15-14+,27-19+,28-18-
    • InChI Key： WARAHFBYZHPXNP-CMKJWTFASA-N
    • SMILES： O1C(CC(CC1/C=C/CC(/C=C/CC(/C=C/C(C)C(/C(/C)=C/C(/CO)=C/C(C)CC(C)CC(C)CC)O)O)O)O)=O

Computed Properties

  • Exact Mass: 576.402604
  • Monoisotopic Mass: 576.402604
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 5
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 41
  • Rotatable Bond Count: 18
  • Complexity: 903
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 9
  • Defined Bond Stereocenter Count: 5
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 127
  • XLogP3: 5.8

Experimental Properties

  • Density: 1.103
  • Boiling Point: 754.8°C at 760 mmHg
  • Flash Point: 229.8°C
  • Refractive Index: 1.557

2H-Pyran-2-one,tetrahydro-4-hydroxy-6-[4,8,12-trihydroxy-15-(hydroxymethyl)-11,13,17,19,21-pentamethyl-1,5,9,13,15-tricosapentaenyl]-(9CI) Related Literature

Related Categories

83652-16-8 (2H-Pyran-2-one,tetrahydro-4-hydroxy-6-[4,8,12-trihydroxy-15-(hydroxymethyl)-11,13,17,19,21-pentamethyl-1,5,9,13,15-tricosapentaenyl]-(9CI)) Related Products

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