Cas no 7004-98-0 (Estra-1,3,5(10)-triene-16,17-diol,3-methoxy-, (16a,17a)-)

Estra-1,3,5(10)-triene-16,17-diol,3-methoxy-, (16a,17a)- structure
7004-98-0 structure
Product Name:Estra-1,3,5(10)-triene-16,17-diol,3-methoxy-, (16a,17a)-
CAS No:7004-98-0
MF:C19H26O3
MW:302.407946109772
CID:563801
PubChem ID:244809
Update Time:2025-04-19

Estra-1,3,5(10)-triene-16,17-diol,3-methoxy-, (16a,17a)- Chemical and Physical Properties

Names and Identifiers

    • Estra-1,3,5(10)-triene-16,17-diol,3-methoxy-, (16a,17a)-
    • 3-Methoxyestra-1,3,5(10)-triene-16.α.,17.α.-diol
    • EPIMESTROL
    • 16H-androst-4-eno[17,16-c]azeto[1,2-b]pyrazole-3,3''-dione
    • 2-(2,6-dibromo-4-methylphenoxy)-N'-[(E)-(2-oxonaphthalen-1-ylidene)methyl]acetohydrazide
    • AC1OBJ1I
    • AGN-PC-00H5G7
    • 3-Methoxy)estra-1,3,5(10)-triene-16alpha,17alpha-diol
    • 3-Methoxy-17-epiestriol
    • NSC 55975
    • Org 817
    • Stimovul
    • NS00080696
    • 7004-98-0
    • CHEBI:34738
    • Epimestrolum [INN-Latin]
    • DB13386
    • NSC55975
    • CHEMBL2106236
    • EPIMESTROL [USAN]
    • (8R,9S,13S,14S,16R,17S)-3-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-16,17-diol
    • EPIMESTROL [MART.]
    • UNII-7IVE3SDZ38
    • 3-Methoxyestra-1,3,5(10)-triene-16alpha,17alpha-diol
    • Q5383041
    • Estra-1,3,5(10)-triene-16alpha,17alpha-diol, 3-methoxy-
    • Epimestrolo [DCIT]
    • Stimuvol
    • ORG-817
    • 7IVE3SDZ38
    • Estra-1,5(10)-triene-16,17-diol, 3-methoxy-, (16.alpha.,17.alpha.)-
    • NSC-55975
    • Epimestrol (USAN/INN)
    • Epimestrolo
    • Epimestrolum
    • Epimestrol [USAN:INN:BAN]
    • EPIMESTROL [INN]
    • EPIMESTROL [MI]
    • 3-Methoxyestra-1,5(10)-triene-16.alpha.,17.alpha.-diol
    • Estra-1,3,5(10)-triene-16,17-diol, 3-methoxy-, (16alpha,17alpha)-
    • EPIMESTROL [WHO-DD]
    • SCHEMBL554257
    • DTXSID90859807
    • Estra-1,5(10)-triene-16.alpha.,17.alpha.-diol, 3-methoxy-
    • D04021
    • EINECS 230-278-0
    • Estra-1,3,5(10)-triene-16,17-diol, 3-methoxy-, (16.alpha.,17.alpha.)-
    • Inchi： 1S/C19H26O3/c1-19-8-7-14-13-6-4-12(22-2)9-11(13)3-5-15(14)16(19)10-17(20)18(19)21/h4,6,9,14-18,20-21H,3,5,7-8,10H2,1-2H3
    • InChI Key： UHQGCIIQUZBJAE-UHFFFAOYSA-N
    • SMILES： COC1C=C2C(C3C(CC2)C2C(C(C(C2)O)O)(C)CC3)=CC=1

Computed Properties

  • Exact Mass: 302.18800
  • Monoisotopic Mass: 302.188
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 22
  • Rotatable Bond Count: 1
  • Complexity: 425
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 6
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.8
  • Topological Polar Surface Area: 49.7A^2

Experimental Properties

  • Density: 1.185±0.06 g/cm3 (20 oC 760 Torr),
  • Melting Point: 159 oC
  • Boiling Point: 450.8°C at 760 mmHg
  • Flash Point: 226.4°C
  • Refractive Index: 1.588
  • Solubility: Almost insoluble (0.01 g/l) (25 o C),
  • PSA: 49.69000
  • LogP: 2.88300
  • Specific Rotation: D20 +48° (chloroform)

Estra-1,3,5(10)-triene-16,17-diol,3-methoxy-, (16a,17a)- Related Literature

Related Categories

7004-98-0 (Estra-1,3,5(10)-triene-16,17-diol,3-methoxy-, (16a,17a)-) Related Products

Recommended suppliers
Yunnanjiuzhen
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Yunnanjiuzhen
Shanghai Pearlk Chemicals Co., Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Shandong Jing Kun Chemical Co.,Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Shandong Jing Kun Chemical Co.,Ltd.
Amadis Chemical Company Limited
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
Amadis Chemical Company Limited
PRIBOLAB PTE.LTD
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
PRIBOLAB PTE.LTD