Estra-1,3,5(10),9(11)-tetraene-3,17-diol, diacetate, (17β)-

CAS Registry Number®

1169-54-6
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CAS Name

Estra-1,3,5(10),9(11)-tetraene-3,17-diol, diacetate, (17β)-

Molecular Formula

C22H26O4

Molecular Mass

354.44

Cite this Page

Estra-1,3,5(10),9(11)-tetraene-3,17-diol, diacetate, (17β)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1169-54-6 (retrieved 2024-07-06) (CAS RN: 1169-54-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    148-149 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C22H26O4/c1-13(23)25-16-5-7-17-15(12-16)4-6-19-18(17)10-11-22(3)20(19)8-9-21(22)26-14(2)24/h5,7,10,12,19-21H,4,6,8-9,11H2,1-3H3/t19-,20+,21+,22+/m1/s1

InChIKey

InChIKey=UESVTJRTUBOKMJ-MLNNCEHLSA-N

SMILES

C[C@@]12[C@]([C@]3(C(C=4C(CC3)=CC(OC(C)=O)=CC4)=CC1)[H])(CC[C@@H]2OC(C)=O)[H]

Canonical SMILES

O=C(OC=1C=CC2=C(C1)CCC3C2=CCC4(C)C(OC(=O)C)CCC34)C

Other Names for this Substance

  • Estra-1,3,5(10),9(11)-tetraene-3,17-diol, diacetate, (17β)-
  • Estra-1,3,5(10),9(11)-tetraene-3,17β-diol, diacetate