5α-Pregnane-3β,20β-diol
CAS Registry Number®
516-53-0
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CAS Name
5α-Pregnane-3β,20β-diolMolecular Formula
C21H36O2Molecular Mass
320.51Cite this Page
5α-Pregnane-3β,20β-diol. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=516-53-0 (retrieved ) (CAS RN: 516-53-0). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Compound Properties
Melting Point (1)
196 °CDensity (2)
1.061 g/cm³
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-/m1/s1
InChIKey
InChIKey=YWYQTGBBEZQBGO-XFHAOOBSSA-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,20R)-
- 5α-Pregnane-3β,20β-diol
- (3β,5α,20R)-Pregnane-3,20-diol
- Allopregnane-3β,20β-diol
- 3β,20β-Dihydroxy-5α-pregnane
