5α-Tetrahydrocortisol

CAS Registry Number®

302-91-0

CAS Name

5α-Tetrahydrocortisol

Molecular Formula

C21H34O5

Molecular Mass

366.49

Cite this Page

5α-Tetrahydrocortisol.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=302-91-0 (retrieved 2024-11-28) (CAS RN: 302-91-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    244.5 °C

  • Density (2)

    1.205 g/cm³

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C21H34O5/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/h12-16,18,22-24,26H,3-11H2,1-2H3/t12-,13+,14-,15-,16-,18+,19-,20-,21-/m0/s1

InChIKey

InChIKey=AODPIQQILQLWGS-FDSHTENPSA-N

SMILES

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

Canonical SMILES

O=C(CO)C1(O)CCC2C3CCC4CC(O)CCC4(C)C3C(O)CC21C

Other Names for this Substance

  • Pregnan-20-one, 3,11,17,21-tetrahydroxy-, (3α,5α,11β)-
  • 5α-Pregnan-20-one, 3α,11β,17,21-tetrahydroxy-
  • (3α,5α,11β)-3,11,17,21-Tetrahydroxypregnan-20-one
  • Allopregnane-3α,11β,17α,21-tetrol-20-one
  • Allotetrahydrocompound F

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