Estra-1,3,5(10)-trien-3-ol, 17-(1-cyclohexen-1-yloxy)-, 3-propanoate, (17β)-

CAS Registry Number®

13885-31-9

CAS Name

Estra-1,3,5(10)-trien-3-ol, 17-(1-cyclohexen-1-yloxy)-, 3-propanoate, (17β)-

Molecular Formula

C27H36O3

Molecular Mass

408.57

Cite this Page

Estra-1,3,5(10)-trien-3-ol, 17-(1-cyclohexen-1-yloxy)-, 3-propanoate, (17β)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=13885-31-9 (retrieved 2024-11-22) (CAS RN: 13885-31-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    94-96 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C27H36O3/c1-3-26(28)30-20-10-12-21-18(17-20)9-11-23-22(21)15-16-27(2)24(23)13-14-25(27)29-19-7-5-4-6-8-19/h7,10,12,17,22-25H,3-6,8-9,11,13-16H2,1-2H3/t22-,23-,24+,25+,27+/m1/s1

InChIKey

InChIKey=VYAXJSIVAVEVHF-RYIFMDQWSA-N

SMILES

C[C@@]12[C@]([C@]3([C@@](C=4C(CC3)=CC(OC(CC)=O)=CC4)(CC1)[H])[H])(CC[C@@H]2OC=5CCCCC5)[H]

Canonical SMILES

O=C(OC1=CC=C2C(=C1)CCC3C2CCC4(C)C(OC5=CCCCC5)CCC34)CC

Other Names for this Substance

  • Estra-1,3,5(10)-trien-3-ol, 17-(1-cyclohexen-1-yloxy)-, 3-propanoate, (17β)-
  • Estra-1,3,5(10)-trien-3-ol, 17β-(1-cyclohexen-1-yloxy)-, propionate
  • Estra-1,3,5(10)-trien-3-ol, 17-(1-cyclohexen-1-yloxy)-, propanoate, (17β)-
  • 17β-(Cyclohexen-1-yloxy)-estra-1,3,5(10)-trien-3-ol propionate
  • Orestrate

CAS INSIGHTSTM
Targeted protein degrader structure, illustration