6-Ketoestriol

CAS Registry Number®

7323-86-6
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CAS Name

6-Ketoestriol

Molecular Formula

C18H22O4

Molecular Mass

302.36

Cite this Page

6-Ketoestriol.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=7323-86-6 (retrieved 2024-08-28) (CAS RN: 7323-86-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    244-246 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C18H22O4/c1-18-5-4-11-10-3-2-9(19)6-13(10)15(20)7-12(11)14(18)8-16(21)17(18)22/h2-3,6,11-12,14,16-17,19,21-22H,4-5,7-8H2,1H3/t11-,12-,14+,16-,17+,18+/m1/s1

InChIKey

InChIKey=PYFIDTBVOMQKDC-XCYHEEQWSA-N

SMILES

C[C@@]12[C@]([C@]3([C@@](C=4C(C(=O)C3)=CC(O)=CC4)(CC1)[H])[H])(C[C@@H](O)[C@@H]2O)[H]

Canonical SMILES

O=C1C2=CC(O)=CC=C2C3CCC4(C)C(O)C(O)CC4C3C1

Other Names for this Substance

  • Estra-1,3,5(10)-trien-6-one, 3,16,17-trihydroxy-, (16α,17β)-
  • Estra-1,3,5(10)-trien-6-one, 3,16α,17β-trihydroxy-
  • (16α,17β)-3,16,17-Trihydroxyestra-1,3,5(10)-trien-6-one
  • 6-Oxoestriol
  • 6-Oxo-16α,17β-estriol

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