Pregnanetriolone

CAS Registry Number®

603-99-6

CAS Name

Pregnanetriolone

Molecular Formula

C21H34O4

Molecular Mass

350.49

Cite this Page

Pregnanetriolone.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=603-99-6 (retrieved 2024-11-21) (CAS RN: 603-99-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    218-220.5 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C21H34O4/c1-12(22)21(25)9-7-16-15-5-4-13-10-14(23)6-8-19(13,2)18(15)17(24)11-20(16,21)3/h12-16,18,22-23,25H,4-11H2,1-3H3/t12-,13+,14+,15-,16-,18+,19-,20-,21-/m0/s1

InChIKey

InChIKey=WKFXHNDWEHDGQD-ZQRGSSBZSA-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@H](C)O)O)[H]

Canonical SMILES

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

Other Names for this Substance

  • Pregnan-11-one, 3,17,20-trihydroxy-, (3α,5β,20S)-
  • 5β-Pregnan-11-one, 3α,17,20α-trihydroxy-
  • (3α,5β,20S)-3,17,20-Trihydroxypregnan-11-one
  • 5β-Pregnane-3α,17α,20α-triol-11-one
  • 3α,17α,20α-Trihydroxy-5β-pregnan-11-one

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Deleted or Replaced CAS Registry Numbers

82597-52-2