Estradiol, diacetate

CAS Registry Number®

3434-88-6

CAS Name

Estradiol, diacetate

Molecular Formula

C22H28O4

Molecular Mass

356.46

Cite this Page

Estradiol, diacetate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=3434-88-6 (retrieved 2024-11-22) (CAS RN: 3434-88-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    127-129 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C22H28O4/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/h5,7,12,18-21H,4,6,8-11H2,1-3H3/t18-,19-,20+,21+,22+/m1/s1

InChIKey

InChIKey=VQHQLBARMFAKSV-AANPDWTMSA-N

SMILES

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

Canonical SMILES

O=C(OC1=CC=C2C(=C1)CCC3C2CCC4(C)C(OC(=O)C)CCC34)C

Other Names for this Substance

  • Estra-1,3,5(10)-triene-3,17-diol (17β)-, 3,17-diacetate
  • Estradiol, diacetate
  • Estra-1,3,5(10)-triene-3,17-diol (17β)-, diacetate
  • β-Estradiol diacetate
  • Estradiol-3,17β-diacetate

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Deleted or Replaced CAS Registry Numbers

69557-96-6

CAS INSIGHTSTM
Targeted protein degrader structure, illustration