3-(Benzoyloxy)estra-1,3,5(10)-trien-17-one

CAS Registry Number®

2393-53-5
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CAS Name

3-(Benzoyloxy)estra-1,3,5(10)-trien-17-one

Molecular Formula

C25H26O3

Molecular Mass

374.47

Cite this Page

3-(Benzoyloxy)estra-1,3,5(10)-trien-17-one.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?ref=2393-53-5 (retrieved 2024-04-25) (CAS RN: 2393-53-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    217-220 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C25H26O3/c1-25-14-13-20-19-10-8-18(28-24(27)16-5-3-2-4-6-16)15-17(19)7-9-21(20)22(25)11-12-23(25)26/h2-6,8,10,15,20-22H,7,9,11-14H2,1H3/t20-,21-,22+,25+/m1/s1

InChIKey

InChIKey=HKUKRSLIEVXDMS-APDHKMKFSA-N

SMILES

C[C@@]12[C@]([C@]3([C@@](C=4C(CC3)=CC(OC(=O)C5=CC=CC=C5)=CC4)(CC1)[H])[H])(CCC2=O)[H]

Canonical SMILES

O=C(OC1=CC=C2C(=C1)CCC3C2CCC4(C(=O)CCC34)C)C=5C=CC=CC5

Other Names for this Substance

  • Estra-1,3,5(10)-trien-17-one, 3-(benzoyloxy)-
  • Estrone, benzoate
  • 3-(Benzoyloxy)estra-1,3,5(10)-trien-17-one
  • Estrone 3-benzoate

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