5α-Pregnane-3α,20α-diol
CAS Registry Number®
566-58-5
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CAS Name
5α-Pregnane-3α,20α-diolMolecular Formula
C21H36O2Molecular Mass
320.51Cite this Page
5α-Pregnane-3α,20α-diol. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=566-58-5 (retrieved ) (CAS RN: 566-58-5). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Compound Properties
Melting Point (1)
241.5-244 °C
Source(s)
Other Names and Identifiers
InChI
InChI=1S/C21H36O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h13-19,22-23H,4-12H2,1-3H3/t13-,14-,15+,16-,17+,18-,19-,20-,21+/m0/s1
InChIKey
InChIKey=YWYQTGBBEZQBGO-CGVINKDUSA-N
SMILES
C[C@@]12[C@@]3([C@]([C@]4([C@](C)(CC3)[C@@]([C@H](C)O)(CC4)[H])[H])(CC[C@]1(C[C@H](O)CC2)[H])[H])[H]
Canonical SMILES
OC1CCC2(C)C(CCC3C4CCC(C(O)C)C4(C)CCC32)C1
Other Names for this Substance
- Pregnane-3,20-diol, (3α,5α,20S)-
- 5α-Pregnane-3α,20α-diol
- (3α,5α,20S)-Pregnane-3,20-diol
- Allopregnane-3α,20α-diol
- Allopregnanediol
Deleted or Replaced CAS Registry Numbers
37297-29-3
