Cas no 31084-38-5 (Androsta-1,4-dien-3-one,17-hydroxy-7-methyl-, (7a,17b)-)

Androsta-1,4-dien-3-one,17-hydroxy-7-methyl-, (7a,17b)- structure
31084-38-5 structure
Product Name:Androsta-1,4-dien-3-one,17-hydroxy-7-methyl-, (7a,17b)-
CAS No:31084-38-5
MF:C20H28O2
MW:300.435126304626
CID:307318
PubChem ID:254635
Update Time:2025-04-19

Androsta-1,4-dien-3-one,17-hydroxy-7-methyl-, (7a,17b)- Chemical and Physical Properties

Names and Identifiers

    • Androsta-1,4-dien-3-one,17-hydroxy-7-methyl-, (7a,17b)-
    • 1-Dehydro-7.α.-methyltestosterone
    • 1-Dehydro-7.alpha.-methyltestosterone
    • NSC79104
    • NSC-79104
    • 1-DEHYDRO-7-ALPHA-METHYLTESTOSTERONE
    • 31084-38-5
    • DEHYDRO-7-METHYLTESTOSTERONE
    • 17-hydroxy-7,10,13-trimethyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one
    • DTXSID40953187
    • 17.beta.-Hydroxy-7-.alpha.-methyl-androsta-1,4-dien-3-one
    • 17-hydroxy-7-methylandrosta-1,4-dien-3-one
    • Inchi: 1S/C20H28O2/c1-12-10-13-11-14(21)6-8-19(13,2)16-7-9-20(3)15(18(12)16)4-5-17(20)22/h6,8,11-12,15-18,22H,4-5,7,9-10H2,1-3H3
    • InChI Key: YQVYJAMTSLBOFT-UHFFFAOYSA-N
    • SMILES: OC1CCC2C1(C)CCC1C3(C=CC(C=C3CC(C)C21)=O)C

Computed Properties

  • Exact Mass: 300.20904
  • Monoisotopic Mass: 300.209
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 22
  • Rotatable Bond Count: 0
  • Complexity: 574
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 5
  • Undefined Atom Stereocenter Count : 2
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 37.3A^2
  • XLogP3: 3.8

Experimental Properties

  • Density: 1.12
  • Boiling Point: 441.1°Cat760mmHg
  • Flash Point: 188°C
  • Refractive Index: 1.569
  • PSA: 37.3
  • LogP: 3.90120

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