Tixocortol

CAS Registry Number®

61951-99-3
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CAS Name

Tixocortol

Molecular Formula

C21H30O4S

Molecular Mass

378.53

Cite this Page

Tixocortol.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=61951-99-3 (retrieved 2024-02-26) (CAS RN: 61951-99-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    254 °C (decomp)

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C21H30O4S/c1-19-7-5-13(22)9-12(19)3-4-14-15-6-8-21(25,17(24)11-26)20(15,2)10-16(23)18(14)19/h9,14-16,18,23,25-26H,3-8,10-11H2,1-2H3/t14-,15-,16-,18+,19-,20-,21-/m0/s1

InChIKey

InChIKey=YWDBSCORAARPPF-VWUMJDOOSA-N

SMILES

C[C@@]12[C@]([C@]3([C@@]([C@]4(C)C(CC3)=CC(=O)CC4)([C@@H](O)C1)[H])[H])(CC[C@@]2(C(CS)=O)O)[H]

Canonical SMILES

O=C1C=C2CCC3C4CCC(O)(C(=O)CS)C4(C)CC(O)C3C2(C)CC1

Other Names for this Substance

  • Pregn-4-ene-3,20-dione, 11,17-dihydroxy-21-mercapto-, (11β)-
  • Progesterone, 11β,17-dihydroxy-21-mercapto-
  • (11β)-11,17-Dihydroxy-21-mercaptopregn-4-ene-3,20-dione
  • Cortisol 21-thiol
  • Tixocortol

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