Estra-1,3,5(10)-triene-3,17-diol (17β)-, 17-cyclohexanecarboxylate

CAS Registry Number®

15140-27-9
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CAS Name

Estra-1,3,5(10)-triene-3,17-diol (17β)-, 17-cyclohexanecarboxylate

Molecular Formula

C25H34O3

Molecular Mass

382.54

Cite this Page

Estra-1,3,5(10)-triene-3,17-diol (17β)-, 17-cyclohexanecarboxylate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=15140-27-9 (retrieved 2024-04-23) (CAS RN: 15140-27-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    154-155 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C25H34O3/c1-25-14-13-20-19-10-8-18(26)15-17(19)7-9-21(20)22(25)11-12-23(25)28-24(27)16-5-3-2-4-6-16/h8,10,15-16,20-23,26H,2-7,9,11-14H2,1H3/t20-,21-,22+,23+,25+/m1/s1

InChIKey

InChIKey=IVRCALGRJCHPRV-BZDYCCQFSA-N

SMILES

C[C@@]12[C@]([C@]3([C@@](C=4C(CC3)=CC(O)=CC4)(CC1)[H])[H])(CC[C@@H]2OC(=O)C5CCCCC5)[H]

Canonical SMILES

O=C(OC1CCC2C3CCC4=CC(O)=CC=C4C3CCC12C)C5CCCCC5

Other Names for this Substance

  • Estra-1,3,5(10)-triene-3,17-diol (17β)-, 17-cyclohexanecarboxylate
  • Estradiol, 17-cyclohexanecarboxylate
  • Cyclohexanecarboxylic acid, 17-ester with estradiol

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