19-Norpregna-4,9-diene-21-nitrile, 11-hydroperoxy-17-hydroxy-3-oxo-, (11β,17α)-
CAS Registry Number®
106111-43-7
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CAS Name
19-Norpregna-4,9-diene-21-nitrile, 11-hydroperoxy-17-hydroxy-3-oxo-, (11β,17α)-Molecular Formula
C20H25NO4Molecular Mass
343.42Cite this Page
19-Norpregna-4,9-diene-21-nitrile, 11-hydroperoxy-17-hydroxy-3-oxo-, (11β,17α)-. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=106111-43-7 (retrieved ) (CAS RN: 106111-43-7). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C20H25NO4/c1-19-11-17(25-24)18-14-5-3-13(22)10-12(14)2-4-15(18)16(19)6-7-20(19,23)8-9-21/h10,15-17,23-24H,2-8,11H2,1H3/t15-,16-,17-,19-,20+/m0/s1
InChIKey
InChIKey=RLOFVNFCBUJNAR-VDWQKOAOSA-N
SMILES
O(O)[C@@H]1C=2[C@]([C@]3([C@](C)(C1)[C@@](CC#N)(O)CC3)[H])(CCC=4C2CCC(=O)C4)[H]
Canonical SMILES
N#CCC1(O)CCC2C3C(=C4C(=CC(=O)CC4)CC3)C(OO)CC21C
Other Names for this Substance
- 19-Norpregna-4,9-diene-21-nitrile, 11-hydroperoxy-17-hydroxy-3-oxo-, (11β,17α)-