(17α)-9,17-Dihydroxy-3-oxoandrost-4-ene-17-carbonitrile
CAS Registry Number®
116256-35-0
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CAS Name
(17α)-9,17-Dihydroxy-3-oxoandrost-4-ene-17-carbonitrileMolecular Formula
C20H27NO3Molecular Mass
329.43Cite this Page
(17α)-9,17-Dihydroxy-3-oxoandrost-4-ene-17-carbonitrile. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=116256-35-0 (retrieved ) (CAS RN: 116256-35-0). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Compound Properties
Melting Point (1)
229-230 °C
Source(s)
- (1) Denotes property values from the ZIC/VINITI data file provided by InfoChem.
Other Names and Identifiers
InChI
InChI=1S/C20H27NO3/c1-17-7-5-14(22)11-13(17)3-4-16-15-6-8-19(23,12-21)18(15,2)9-10-20(16,17)24/h11,15-16,23-24H,3-10H2,1-2H3/t15-,16-,17-,18-,19-,20+/m0/s1
InChIKey
InChIKey=UHCRRDZEBITSMZ-RPZLJYRGSA-N
SMILES
O[C@@]12[C@]([C@]3([C@](C)(CC1)[C@](C#N)(O)CC3)[H])(CCC=4[C@]2(C)CCC(=O)C4)[H]
Canonical SMILES
N#CC1(O)CCC2C3CCC4=CC(=O)CCC4(C)C3(O)CCC21C
Other Names for this Substance
- Androst-4-ene-17-carbonitrile, 9,17-dihydroxy-3-oxo-, (17α)-
- (17α)-9,17-Dihydroxy-3-oxoandrost-4-ene-17-carbonitrile
