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

CAS Registry Number®

41460-44-0
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CAS Name

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

Molecular Formula

C26H36O3

Molecular Mass

396.56

Cite this Page

Estra-1,3,5(10)-triene-3,17-diol (17β)-, 3-cyclopentanepropanoate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=41460-44-0 (retrieved 2024-08-14) (CAS RN: 41460-44-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C26H36O3/c1-26-15-14-21-20-10-8-19(29-25(28)13-6-17-4-2-3-5-17)16-18(20)7-9-22(21)23(26)11-12-24(26)27/h8,10,16-17,21-24,27H,2-7,9,11-15H2,1H3/t21-,22-,23+,24+,26+/m1/s1

InChIKey

InChIKey=FKRVEVDSHLGWGC-XRKIENNPSA-N

SMILES

C[C@@]12[C@]([C@]3([C@@](C=4C(CC3)=CC(OC(CCC5CCCC5)=O)=CC4)(CC1)[H])[H])(CC[C@@H]2O)[H]

Canonical SMILES

O=C(OC1=CC=C2C(=C1)CCC3C2CCC4(C)C(O)CCC34)CCC5CCCC5

Other Names for this Substance

  • Estra-1,3,5(10)-triene-3,17-diol (17β)-, 3-cyclopentanepropanoate
  • Estradiol, 3-cyclopentanepropionate
  • Cyclopentanepropionic acid, ester with estradiol