5α-Pregnane-3β,20α-diol
CAS Registry Number®
566-56-3
No image available.
CAS Name
5α-Pregnane-3β,20α-diolMolecular Formula
C21H36O2Molecular Mass
320.51Cite this Page
5α-Pregnane-3β,20α-diol. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=566-56-3 (retrieved ) (CAS RN: 566-56-3). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Compound Properties
Melting Point (1)
218.5 °CDensity (2)
1.137 g/cm³
Source(s)
- (1) PhysProp data were obtained from Syracuse Research Corporation of Syracuse, New York (US)
- (2) Haner, Barbara; Acta Crystallographica, (1963), 16(7), 707, CAplus
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-ZVPCKFNKSA-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, (3β,5α,20S)-
- 5α-Pregnane-3β,20α-diol
- (3β,5α,20S)-Pregnane-3,20-diol
- Allopregnane-3β,20α-diol
- 3β,20α-Dihydroxy-5α-pregnane