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#7A;D,1-(1-ALPHA,4A-ALPHA,4B-BETA,8-BETA,8A-BETA,10A-BETA)-ETHYL-8A-CYANO-8-(HYDROXYMETHYL)-1,4A-DIMETHYL-7-METHYLENE-2-OXO-1,4,4A,4B,5,8,8A,9,10,10A-DECAHYDRO

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#7A;D,1-(1-ALPHA,4A-ALPHA,4B-BETA,8-BETA,8A-BETA,10A-BETA)-ETHYL-8A-CYANO-8-(HYDROXYMETHYL)-1,4A-DIMETHYL-7-METHYLENE-2-OXO-1,4,4A,4B,5,8,8A,9,10,10A-DECAHYDRO
SpectraBase Compound ID 4fInrBJ3kWJ
InChI InChI=1S/C22H31NO4/c1-5-27-19(26)21(4)16-8-11-22(13-23)15(12-24)14(2)6-7-17(22)20(16,3)10-9-18(21)25/h15-17,24H,2,5-12H2,1,3-4H3/t15-,16-,17-,20+,21-,22-/m1/s1
InChIKey IFHNEFXJRBFSMW-MBSGBTIZSA-N
Mol Weight 373.49 g/mol
Molecular Formula C22H31NO4
Exact Mass 373.225308 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID F7XAEvRRRmw
Name #7A;D,1-(1-ALPHA,4A-ALPHA,4B-BETA,8-BETA,8A-BETA,10A-BETA)-ETHYL-8A-CYANO-8-(HYDROXYMETHYL)-1,4A-DIMETHYL-7-METHYLENE-2-OXO-1,4,4A,4B,5,8,8A,9,10,10A-DECAHYDRO
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H31NO4
InChI InChI=1S/C22H31NO4/c1-5-27-19(26)21(4)16-8-11-22(13-23)15(12-24)14(2)6-7-17(22)20(16,3)10-9-18(21)25/h15-17,24H,2,5-12H2,1,3-4H3/t15-,16-,17-,20+,21-,22-/m1/s1
InChIKey IFHNEFXJRBFSMW-MBSGBTIZSA-N
Literature Reference Author P.A.ZORETIC,Y.ZHANG,H.FANG,A.A.RIBEIRO,G.DUBAY
Literature Reference Citation J.ORG.CHEM.,63,1162(1998)
Literature Reference DOI 10.1021/jo971632f
Molecular Weight 373.492 g/mol
Sample ID 33473
Solvent CDCl3