Estra-1,3,5(10)-trien-17-one, 3-methoxy-, cyclic 1,2-ethanediyl acetal, (±)-

CAS Registry Number®

1238-31-9
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CAS Name

Estra-1,3,5(10)-trien-17-one, 3-methoxy-, cyclic 1,2-ethanediyl acetal, (±)-

Molecular Formula

C21H28O3

Molecular Mass

328.45

Cite this Page

Estra-1,3,5(10)-trien-17-one, 3-methoxy-, cyclic 1,2-ethanediyl acetal, (±)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1238-31-9 (retrieved 2024-09-03) (CAS RN: 1238-31-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    101-103 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1/C21H28O3/c1-20-9-7-17-16-6-4-15(22-2)13-14(16)3-5-18(17)19(20)8-10-21(20)23-11-12-24-21/h4,6,13,17-19H,3,5,7-12H2,1-2H3/t17-,18-,19+,20+/s2

InChIKey

InChIKey=ZYEPWFOAZRKWFN-QWORDAFBNA-N

SMILES

C[C@@]12C3(CC[C@]1([C@]4([C@](CC2)(C=5C(CC4)=CC(OC)=CC5)[H])[H])[H])OCCO3

Canonical SMILES

O(C1=CC=C2C(=C1)CCC3C2CCC4(C)C3CCC54OCCO5)C

Other Names for this Substance

  • Estra-1,3,5(10)-trien-17-one, 3-methoxy-, cyclic 1,2-ethanediyl acetal, (±)-
  • Estra-1,3,5(10)-trien-17-one, 3-methoxy-, cyclic ethylene acetal, (±)-
  • Spiro[17H-cyclopenta[a]phenanthrene-17,2′-[1,3]dioxolane], estra-1,3,5(10)-trien-17-one deriv.