John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=9BO6Dg9abey SpectraBase Spectrum ID=2vWy0UD4AxS

(accessed ).
(22S,25R)-16-BETA-ETHOXY-22,26-N-CBZ-EPIMINO-5-ALPHA-CHOLESTANE-3-BETA,4-BETA-DIOL
SpectraBase Compound ID 9BO6Dg9abey
InChI InChI=1S/C37H57NO5/c1-6-42-32-20-29-26-13-14-28-34(40)31(39)17-19-36(28,4)27(26)16-18-37(29,5)33(32)24(3)30-15-12-23(2)21-38(30)35(41)43-22-25-10-8-7-9-11-25/h7-11,23-24,26-34,39-40H,6,12-22H2,1-5H3/t23-,24-,26-,27+,28+,29+,30-,31+,32+,33+,34-,36-,37+/m1/s1
InChIKey NJSYVXZSISCBQA-RVFQPGOLSA-N
Mol Weight 595.9 g/mol
Molecular Formula C37H57NO5
Exact Mass 595.423674 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2vWy0UD4AxS
Name (22S,25R)-16-BETA-ETHOXY-22,26-N-CBZ-EPIMINO-5-ALPHA-CHOLESTANE-3-BETA,4-BETA-DIOL
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C37H57NO5
InChI InChI=1S/C37H57NO5/c1-6-42-32-20-29-26-13-14-28-34(40)31(39)17-19-36(28,4)27(26)16-18-37(29,5)33(32)24(3)30-15-12-23(2)21-38(30)35(41)43-22-25-10-8-7-9-11-25/h7-11,23-24,26-34,39-40H,6,12-22H2,1-5H3/t23-,24-,26-,27+,28+,29+,30-,31+,32+,33+,34-,36-,37+/m1/s1
InChIKey NJSYVXZSISCBQA-RVFQPGOLSA-N
Literature Reference Author E.VILORIA,G.MECCIA,A.N.USUBILLAGA
Literature Reference Citation J.NAT.PROD.,55,1178(1992)
Literature Reference DOI 10.1021/np50087a003
Molecular Weight 595.863 g/mol
Solvent CDCl3
Source File Reference UWTS427
SpectraBase Batch ID A0wUzlMj6jq