Cas no 120542-30-5 (1H-Cyclopent[a]anthracene-3,8(2H,3aH)-dione,4,5,9,10,10a,11,11a,11b-octahydro-3a,6-dimethyl-, (3aS,10aS,11aS,11bS)-)

1H-Cyclopent[a]anthracene-3,8(2H,3aH)-dione,4,5,9,10,10a,11,11a,11b-octahydro-3a,6-dimethyl-, (3aS,10aS,11aS,11bS)- structure
120542-30-5 structure
Product Name:1H-Cyclopent[a]anthracene-3,8(2H,3aH)-dione,4,5,9,10,10a,11,11a,11b-octahydro-3a,6-dimethyl-, (3aS,10aS,11aS,11bS)-
CAS No:120542-30-5
MF:C19H24O2
MW:284.392665863037
CID:143173
PubChem ID:129186
Update Time:2025-04-19

1H-Cyclopent[a]anthracene-3,8(2H,3aH)-dione,4,5,9,10,10a,11,11a,11b-octahydro-3a,6-dimethyl-, (3aS,10aS,11aS,11bS)- Chemical and Physical Properties

Names and Identifiers

    • 1H-Cyclopent[a]anthracene-3,8(2H,3aH)-dione,4,5,9,10,10a,11,11a,11b-octahydro-3a,6-dimethyl-, (3aS,10aS,11aS,11bS)-
    • (3aS,10aS,11aS,11bS)-3a,6-dimethyl-1,2,4,5,9,10,10a,11,11a,11b-decahydrocyclopenta[a]anthracene-3,8-dione
    • 1H-Cyclopent[a]anthracene-3,8(2H,3aH)-dione,4,5,9,10,10a,11,11a,11b-octahydro-3a,6-dimethyl-, ...
    • 3,6-dimethyl-2,3,3a,4,5,8,9,10,10,11,11,11-dodecahydro-1H-cyclopenta(a)anthracene-3,8-dione
    • Anthrasteroid 2
    • 3a,6-Dimethyl-4,5,9,10,10a,11,11a,11b-octahydro-1H-cyclopenta[a]anthracene-3,8(2H,3aH)-dione
    • 1,6-Cyclo-1,10-secoandrosta-4,9-diene-3,17-dione, (6beta)-
    • 3abeta,6-Dimethyl-2,3,3a,4,5,8,9,10,10abeta,11,11abeta,11balpha-dodecahydro-1H-cyclopenta(a)anthracene-3,8-dione
    • 120542-30-5
    • DTXSID40923461
    • Inchi： 1S/C19H24O2/c1-11-14-7-8-19(2)17(5-6-18(19)21)16(14)9-12-3-4-13(20)10-15(11)12/h10,12,16-17H,3-9H2,1-2H3/t12-,16+,17-,19-/m0/s1
    • InChI Key： PKBSUKKDDVLORF-JTZSMWBOSA-N
    • SMILES： O=C1CC[C@H]2[C@@H]3C[C@@H]4CCC(C=C4C(C)=C3CC[C@@]21C)=O

Computed Properties

  • Exact Mass: 283.17000
  • Monoisotopic Mass: 284.178
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 21
  • Rotatable Bond Count: 0
  • Complexity: 595
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 4
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.7
  • Topological Polar Surface Area: 34.1?2

Experimental Properties

  • Density: 1.14
  • Boiling Point: 459.8°C at 760 mmHg
  • Flash Point: 171.1°C
  • Refractive Index: 1.566
  • PSA: 34.14000
  • LogP: 4.19470

1H-Cyclopent[a]anthracene-3,8(2H,3aH)-dione,4,5,9,10,10a,11,11a,11b-octahydro-3a,6-dimethyl-, (3aS,10aS,11aS,11bS)- Related Literature

120542-30-5 (1H-Cyclopent[a]anthracene-3,8(2H,3aH)-dione,4,5,9,10,10a,11,11a,11b-octahydro-3a,6-dimethyl-, (3aS,10aS,11aS,11bS)-) Related Products

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