Pregnanetriolone
CAS Registry Number®
603-99-6
No image available.
CAS Name
PregnanetrioloneMolecular Formula
C21H34O4Molecular Mass
350.49Cite 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 ) (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
Deleted or Replaced CAS Registry Numbers
82597-52-2
