Cas no 5864-38-0 (13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol)

13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol structure
5864-38-0 structure
Product Name:13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol
CAS No:5864-38-0
MF:C18H24O2
MW:272.381965637207
CID:948816
PubChem ID:450
Update Time:2025-04-19

13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol Chemical and Physical Properties

Names and Identifiers

    • 13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol
    • AC1L25C3
    • CHEMBL1627567
    • Estradiol-16
    • Estradiol-16alpha
    • Estradiol-16beta
    • Estratriene-3,16alpha-diol
    • NSC19611
    • SureCN3357076
    • 5864-38-0
    • CHEBI:95191
    • NSC102841
    • NCIOpen2_007331
    • CHEMBL412
    • NCGC00015422-03
    • BDBM50005414
    • 17916-67-5
    • NSC-102841
    • 1,3,5(10)-Estratriene-3,17 beta-diol
    • FT-0774211
    • NCGC00015422-02
    • BRD-A60070924-001-01-8
    • 17BETA-ESTRADIOL-16,16-D2
    • 13-Methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene-3,17-diol
    • L024123
    • SY017569
    • Estradiol13-Methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene-3,17-diol
    • EN300-296134
    • 15-methyltetracyclo[8.7.0.02,7.011,15]heptadeca-2,4,6-triene-5,14-diol
    • NCGC00015422-04
    • FT-0607262
    • 13-Methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene-3,17-diol (estradiol)
    • 13-Methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene-3,17-diol(17alpha-estradiol)
    • 1093411-48-3
    • NS00100142
    • Estra-1,3,5(10)-triene-3,17-diol
    • 15-methyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-2,4,6-triene-5,14-diol
    • 17beta-Estradiol-[2,3,4-13C3]
    • AKOS015998413
    • 13-Methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene-3,17-diol(17beta-estradiol)
    • 13-Methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene-3,17-diol(Estradiol)
    • LS-14666
    • (estradiol)13-Methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene-3,17-diol
    • 13-Methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene-3,17-diol( Estradiol)
    • FT-0668015
    • 15-methyltetracyclo[8.7.0.0<2,7>.0<11,15>]heptadeca-2(7),3,5-triene-5,14-diol
    • 13-Methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene-3,17-diol([6,7-3H]-estradiol)
    • SCHEMBL94610
    • SY045798
    • MFCD00064144
    • MFCD00003693
    • Q27167000
    • ?-Estradiol
    • Inchi： 1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3
    • InChI Key： VOXZDWNPVJITMN-UHFFFAOYSA-N
    • SMILES： OC1CCC2C3CCC4C=C(C=CC=4C3CCC21C)O

Computed Properties

  • Exact Mass: 272.17772
  • Monoisotopic Mass: 272.177630004g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 20
  • Rotatable Bond Count: 0
  • Complexity: 382
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 5
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 4
  • Topological Polar Surface Area: 40.5?2

Experimental Properties

  • PSA: 40.46
  • LogP: 3.60920

13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol Related Literature

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