3α,17α-Dihydroxy-5β-pregnane-11,20-dione
CAS Registry Number®
641-78-1
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CAS Name
3α,17α-Dihydroxy-5β-pregnane-11,20-dioneMolecular Formula
C21H32O4Molecular Mass
348.48Cite this Page
3α,17α-Dihydroxy-5β-pregnane-11,20-dione. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=641-78-1 (retrieved ) (CAS RN: 641-78-1). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Compound Properties
Melting Point (1)
200.5-202 °C
Source(s)
Other Names and Identifiers
InChI
InChI=1S/C21H32O4/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/h13-16,18,23,25H,4-11H2,1-3H3/t13-,14-,15+,16+,18-,19+,20+,21+/m1/s1
InChIKey
InChIKey=AYEXSTRNLGYBSQ-YOBHSKELSA-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(C)=O)O)[H]
Canonical SMILES
O=C(C)C1(O)CCC2C3CCC4CC(O)CCC4(C)C3C(=O)CC21C
Other Names for this Substance
- Pregnane-11,20-dione, 3,17-dihydroxy-, (3α,5β)-
- 5β-Pregnane-11,20-dione, 3α,17-dihydroxy-
- (3α,5β)-3,17-Dihydroxypregnane-11,20-dione
- 17α-Hydroxy-11-ketopregnanolone
- L 513789-0
