Cas no 93195-32-5 (methyl [(1E)-5-{6-hydroxy-5-[(2E,4E,9Z,13E)-8-hydroxy-2,5,9-trimethylpentadeca-2,4,9,13-tetraenoyl]-4-oxo-4H-pyran-2-yl}hex-1-en-1-yl]carbamate)

methyl [(1E)-5-{6-hydroxy-5-[(2E,4E,9Z,13E)-8-hydroxy-2,5,9-trimethylpentadeca-2,4,9,13-tetraenoyl]-4-oxo-4H-pyran-2-yl}hex-1-en-1-yl]carbamate structure
93195-32-5 structure
Product Name:methyl [(1E)-5-{6-hydroxy-5-[(2E,4E,9Z,13E)-8-hydroxy-2,5,9-trimethylpentadeca-2,4,9,13-tetraenoyl]-4-oxo-4H-pyran-2-yl}hex-1-en-1-yl]carbamate
CAS No:93195-32-5
MF:C30H41NO7
MW:527.649049520493
CID:1980958
PubChem ID:136230113
Update Time:2025-04-21

methyl [(1E)-5-{6-hydroxy-5-[(2E,4E,9Z,13E)-8-hydroxy-2,5,9-trimethylpentadeca-2,4,9,13-tetraenoyl]-4-oxo-4H-pyran-2-yl}hex-1-en-1-yl]carbamate Chemical and Physical Properties

Names and Identifiers

    • [5-[4-Hydroxy-3-(8-hydroxy-2,5,9-trimethyl-1-oxo-2,4,9,12-tetradecatetrenyl)-2-oxo-2H-pyran-6-yl]-1-hexenyl]carbamic acid methyl ester
    • methyl [(1E)-5-{6-hydroxy-5-[(2E,4E,9Z,13E)-8-hydroxy-2,5,9-trimethylpentadeca-2,4,9,13-tetraenoyl]-4-oxo-4H-pyran-2-yl}hex-1-en-1-yl]carbamate
    • methyl N-[(E)-5-[(5E)-5-[(2E,4E,9Z,13E)-1,8-dihydroxy-2,5,9-trimethylpentadeca-2,4,9,13-tetraenylidene]-4,6-dioxopyran-2-yl]hex-1-enyl]carbamate
    • DTXSID701316685
    • Corallopyronin A
    • SCHEMBL15506071
    • Corallopyronin A'
    • Corallopyronin
    • Inchi： 1S/C30H41NO7/c1-7-8-9-12-21(3)24(32)17-15-20(2)14-16-23(5)28(34)27-25(33)19-26(38-29(27)35)22(4)13-10-11-18-31-30(36)37-6/h7-8,11-12,14,16,18-19,22,24,32-33H,9-10,13,15,17H2,1-6H3,(H,31,36)/b8-7+,18-11+,20-14+,21-12-,23-16+/t22-,24-/m1/s1
    • InChI Key： FPBHSTHTCPCNBS-FHNJZRETSA-N
    • SMILES： O1C(C(C(/C(/C)=C/C=C(\C)/CC[C@H](/C(/C)=C\C/C=C/C)O)=O)=C(C=C1[C@H](C)CC/C=C/NC(=O)OC)O)=O

Computed Properties

  • Exact Mass: 541.303953
  • Monoisotopic Mass: 541.303953
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 39
  • Rotatable Bond Count: 16
  • Complexity: 1090
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 2
  • Defined Bond Stereocenter Count: 5
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 122
  • XLogP3: 6.4

Experimental Properties

  • Density: 1.13
  • Boiling Point: 710°C at 760 mmHg
  • Flash Point: 383.2°C
  • Refractive Index: 1.549

methyl [(1E)-5-{6-hydroxy-5-[(2E,4E,9Z,13E)-8-hydroxy-2,5,9-trimethylpentadeca-2,4,9,13-tetraenoyl]-4-oxo-4H-pyran-2-yl}hex-1-en-1-yl]carbamate Related Literature

Related Categories

93195-32-5 (methyl [(1E)-5-{6-hydroxy-5-[(2E,4E,9Z,13E)-8-hydroxy-2,5,9-trimethylpentadeca-2,4,9,13-tetraenoyl]-4-oxo-4H-pyran-2-yl}hex-1-en-1-yl]carbamate) Related Products

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