Estra-1,3,5(10)-triene-3,16,17-triol, 3,16,17-tripropanoate, (16α,17β)-

CAS Registry Number®

2236-31-9
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CAS Name

Estra-1,3,5(10)-triene-3,16,17-triol, 3,16,17-tripropanoate, (16α,17β)-

Molecular Formula

C27H36O6

Molecular Mass

456.57

Cite this Page

Estra-1,3,5(10)-triene-3,16,17-triol, 3,16,17-tripropanoate, (16α,17β)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=2236-31-9 (retrieved 2024-04-19) (CAS RN: 2236-31-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    99-101 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C27H36O6/c1-5-23(28)31-17-9-11-18-16(14-17)8-10-20-19(18)12-13-27(4)21(20)15-22(32-24(29)6-2)26(27)33-25(30)7-3/h9,11,14,19-22,26H,5-8,10,12-13,15H2,1-4H3/t19-,20-,21+,22-,26+,27+/m1/s1

InChIKey

InChIKey=ONMZMZJEZHMWQL-REUUDLSRSA-N

SMILES

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

Canonical SMILES

O=C(OC1=CC=C2C(=C1)CCC3C2CCC4(C)C(OC(=O)CC)C(OC(=O)CC)CC34)CC

Other Names for this Substance

  • Estra-1,3,5(10)-triene-3,16,17-triol, 3,16,17-tripropanoate, (16α,17β)-
  • Estriol, tripropionate
  • Estra-1,3,5(10)-triene-3,16,17-triol, tripropanoate, (16α,17β)-
  • Estriol propionate
  • Estriel-Depot

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