5α-Pregnan-20α-ol-3-one
CAS Registry Number®
516-59-6
CAS Name
5α-Pregnan-20α-ol-3-oneMolecular Formula
C21H34O2Molecular Mass
318.49Cite this Page
5α-Pregnan-20α-ol-3-one. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=516-59-6 (retrieved ) (CAS RN: 516-59-6). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Compound Properties
Melting Point (1)
178.5-181 °C
Source(s)
Other Names and Identifiers
InChI
InChI=1S/C21H34O2/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/h13-14,16-19,22H,4-12H2,1-3H3/t13-,14-,16-,17+,18-,19-,20-,21+/m0/s1
InChIKey
InChIKey=DYVGYXXLXQESJE-SKLBOBKVSA-N
SMILES
C[C@@]12[C@@]3([C@]([C@]4([C@](C)(CC3)[C@@]([C@H](C)O)(CC4)[H])[H])(CC[C@]1(CC(=O)CC2)[H])[H])[H]
Canonical SMILES
O=C1CCC2(C)C(C1)CCC3C4CCC(C(O)C)C4(C)CCC32
Other Names for this Substance
- Pregnan-3-one, 20-hydroxy-, (5α,20S)-
- 5α-Pregnan-3-one, 20α-hydroxy-
- (5α,20S)-20-Hydroxypregnan-3-one
- Allopregnan-20α-ol-3-one
- 20α-Hydroxy-5α-pregnan-3-one