allo-Tetrahydrocortisone

CAS Registry Number®

547-77-3

CAS Name

allo-Tetrahydrocortisone

Molecular Formula

C21H32O5

Molecular Mass

364.48

Cite this Page

allo-Tetrahydrocortisone.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=547-77-3 (retrieved 2024-11-22) (CAS RN: 547-77-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    213 °C

Source(s)

  • (1) PhysProp data were obtained from Syracuse Research Corporation of Syracuse, New York (US)

Other Names and Identifiers

InChI

InChI=1S/C21H32O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h12-15,18,22-23,26H,3-11H2,1-2H3/t12-,13+,14-,15-,18+,19-,20-,21-/m0/s1

InChIKey

InChIKey=SYGWGHVTLUBCEM-TUJFWAKLSA-N

SMILES

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

Canonical SMILES

O=C1CC2(C)C(CCC2(O)C(=O)CO)C3CCC4CC(O)CCC4(C)C13

Other Names for this Substance

  • Pregnane-11,20-dione, 3,17,21-trihydroxy-, (3α,5α)-
  • 5α-Pregnane-11,20-dione, 3α,17,21-trihydroxy-
  • (3α,5α)-3,17,21-Trihydroxypregnane-11,20-dione
  • Allotetrahydrocortisone
  • Cortisone, allotetrahydro-

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CAS INSIGHTSTM
Targeted protein degrader structure, illustration