Estrone sulfate

CAS Registry Number®

481-97-0
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CAS Name

Estrone sulfate

Molecular Formula

C18H22O5S

Molecular Mass

350.43

Cite this Page

Estrone sulfate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=481-97-0 (retrieved 2024-05-28) (CAS RN: 481-97-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    210 °C (decomp)

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C18H22O5S/c1-18-9-8-14-13-5-3-12(23-24(20,21)22)10-11(13)2-4-15(14)16(18)6-7-17(18)19/h3,5,10,14-16H,2,4,6-9H2,1H3,(H,20,21,22)/t14-,15-,16+,18+/m1/s1

InChIKey

InChIKey=JKKFKPJIXZFSSB-CBZIJGRNSA-N

SMILES

C[C@@]12[C@]([C@]3([C@@](C=4C(CC3)=CC(OS(=O)(=O)O)=CC4)(CC1)[H])[H])(CCC2=O)[H]

Canonical SMILES

O=C1CCC2C3CCC4=CC(OS(=O)(=O)O)=CC=C4C3CCC12C

Other Names for this Substance

  • Estra-1,3,5(10)-trien-17-one, 3-(sulfooxy)-
  • Estrone sulfate
  • Estrone, hydrogen sulfate
  • 3-(Sulfooxy)estra-1,3,5(10)-trien-17-one
  • Estrone 3-sulfate

Deleted or Replaced CAS Registry Numbers

882982-18-5

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