Cas no 111216-62-7 (2H-Naphtho[2,3-b]pyran-5,10-dione,3,4a-dichloro-3,4,4a,10a-tetrahydro-6,8-dihydroxy-10a-(6-hydroxy-3,7-dimethyl-2,7-octadienyl)-2,2-dimethyl-(9CI))

2H-Naphtho[2,3-b]pyran-5,10-dione,3,4a-dichloro-3,4,4a,10a-tetrahydro-6,8-dihydroxy-10a-(6-hydroxy-3,7-dimethyl-2,7-octadienyl)-2,2-dimethyl-(9CI) structure
111216-62-7 structure
Product Name:2H-Naphtho[2,3-b]pyran-5,10-dione,3,4a-dichloro-3,4,4a,10a-tetrahydro-6,8-dihydroxy-10a-(6-hydroxy-3,7-dimethyl-2,7-octadienyl)-2,2-dimethyl-(9CI)
CAS No:111216-62-7
MF:C25H30Cl2O6
MW:497.408106327057
CID:154024
PubChem ID:9983331
Update Time:2025-04-19

2H-Naphtho[2,3-b]pyran-5,10-dione,3,4a-dichloro-3,4,4a,10a-tetrahydro-6,8-dihydroxy-10a-(6-hydroxy-3,7-dimethyl-2,7-octadienyl)-2,2-dimethyl-(9CI) Chemical and Physical Properties

Names and Identifiers

    • 2H-Naphtho[2,3-b]pyran-5,10-dione,3,4a-dichloro-3,4,4a,10a-tetrahydro-6,8-dihydroxy-10a-(6-hydroxy-3,7-dimethyl-2,7-octadienyl)-2,2-dimethyl-(9CI)
    • 3,4a-dichloro-6,8-dihydroxy-10a-[(2E)-6-hydroxy-3,7-dimethylocta-2,7-dienyl]-2,2-dimethyl-3,4-dihydrobenzo[g]chromene-5,10-dione
    • napyradiomycin A2
    • 16-Hydroxy-17-methylenenapyradiomycin A1
    • 2H-Naphtho(2,3-b)pyran-5,10-dione, 3,4a-dichloro-3,4,4a,10a-tetrahydro-6,8-dihydroxy-10a-(6-hydroxy-3,7-dimethyl-2,7-octadienyl)-2,2-dimethyl-
    • 3,4a-dichloro-6,8-dihydroxy-10a-[(2E)-6-hydroxy-3,7-dimethylocta-2,7-dien-1-yl]-2,2-dimethyl-3,4,4a,10a-tetrahydro-2H-benzo[g]chromene-5,10-dione
    • Npd-A2
    • (3R,4aR,10aS)-3,4a-dichloro-6,8-dihydroxy-10a-[(2E)-6-hydroxy-3,7-dimethylocta-2,7-dienyl]-2,2-dimethyl-3,4-dihydrobenzo[g]chromene-5,10-dione
    • 111216-62-7
    • Napyradiomycin A 2
    • Inchi： 1S/C25H30Cl2O6/c1-13(2)17(29)7-6-14(3)8-9-25-21(31)16-10-15(28)11-18(30)20(16)22(32)24(25,27)12-19(26)23(4,5)33-25/h8,10-11,17,19,28-30H,1,6-7,9,12H2,2-5H3/b14-8+/t17?,19-,24+,25+/m1/s1
    • InChI Key： MUVCLXZNRJJIGV-IYESRBMVSA-N
    • SMILES： Cl[C@@]12C(C3C(=CC(=CC=3C([C@]1(C/C=C(\C)/CCC(C(=C)C)O)OC(C)(C)[C@@H](C2)Cl)=O)O)O)=O

Computed Properties

  • Exact Mass: 496.141944
  • Monoisotopic Mass: 496.141944
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 33
  • Rotatable Bond Count: 6
  • Complexity: 854
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 4
  • Defined Bond Stereocenter Count: 1
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 104
  • XLogP3: 5.5

Experimental Properties

  • Density: 1.35
  • Boiling Point: 682.6°Cat760mmHg
  • Flash Point: 366.6°C
  • Refractive Index: 1.604
  • PSA: 104.06000
  • LogP: 5.05310

2H-Naphtho[2,3-b]pyran-5,10-dione,3,4a-dichloro-3,4,4a,10a-tetrahydro-6,8-dihydroxy-10a-(6-hydroxy-3,7-dimethyl-2,7-octadienyl)-2,2-dimethyl-(9CI) Related Literature

Related Categories

111216-62-7 (2H-Naphtho[2,3-b]pyran-5,10-dione,3,4a-dichloro-3,4,4a,10a-tetrahydro-6,8-dihydroxy-10a-(6-hydroxy-3,7-dimethyl-2,7-octadienyl)-2,2-dimethyl-(9CI)) Related Products

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