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3-BETA-CYANO-ANDROST-3-ONE-17-BETA-OL
SpectraBase Compound ID Bw4DBP2vtqY
InChI InChI=1S/C20H29NO2/c1-18-8-7-16-14(15(18)3-4-17(18)23)6-10-20(12-21)11-13(22)5-9-19(16,20)2/h14-17,23H,3-11H2,1-2H3/t14-,15-,16-,17-,18-,19+,20+/m0/s1
InChIKey FYXFHBLBSLNOGN-ZYRLFZHTSA-N
Mol Weight 315.46 g/mol
Molecular Formula C20H29NO2
Exact Mass 315.219829 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GcQJWKTSotE
Name 3-BETA-CYANO-ANDROST-3-ONE-17-BETA-OL
Compound Number 29
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H29NO2
InChI InChI=1S/C20H29NO2/c1-18-8-7-16-14(15(18)3-4-17(18)23)6-10-20(12-21)11-13(22)5-9-19(16,20)2/h14-17,23H,3-11H2,1-2H3/t14-,15-,16-,17-,18-,19+,20+/m0/s1
InChIKey FYXFHBLBSLNOGN-ZYRLFZHTSA-N
Literature Reference Author A.TOBARI,T.SHIMIZU,H.MIYAMAE,A.NAGASAWA,M.KAWASE,S.SAITO
Literature Reference Citation CARBOHYDR.RES.,310,239(1998)
Literature Reference DOI 10.1016/S0008-6215(98)00192-X
Molecular Weight 315.456 g/mol
Solvent CDCl3
Source File Reference UWGE2942