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METHYL-(1R,8R)-17-ACETOXY-16-(2-BENZOYL-1,2,3,4-TETRAHYDRO-BETA-CARBOLIN-1-YL)-15,16-EPOXY-13(16),14-LABDADIEN-18-OATE
SpectraBase Compound ID 4rQGbCkw3Ft
InChI InChI=1S/C41H48N2O6/c1-26(44)49-25-29-16-18-34-40(2,21-10-22-41(34,3)39(46)47-4)32(29)17-15-27-20-24-48-37(27)36-35-31(30-13-8-9-14-33(30)42-35)19-23-43(36)38(45)28-11-6-5-7-12-28/h5-9,11-14,20,24,29,32,34,36,42H,10,15-19,21-23,25H2,1-4H3/t29-,32-,34?,36-,40+,41-/m0/s1
InChIKey GGVGQVGEFJAJCK-BCLOJPNMSA-N
Mol Weight 664.8 g/mol
Molecular Formula C41H48N2O6
Exact Mass 664.351237 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5Op1z4bS7c3
Name METHYL-(1R,8R)-17-ACETOXY-16-(2-BENZOYL-1,2,3,4-TETRAHYDRO-BETA-CARBOLIN-1-YL)-15,16-EPOXY-13(16),14-LABDADIEN-18-OATE
Compound Number XII
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C41H48N2O6
InChI InChI=1S/C41H48N2O6/c1-26(44)49-25-29-16-18-34-40(2,21-10-22-41(34,3)39(46)47-4)32(29)17-15-27-20-24-48-37(27)36-35-31(30-13-8-9-14-33(30)42-35)19-23-43(36)38(45)28-11-6-5-7-12-28/h5-9,11-14,20,24,29,32,34,36,42H,10,15-19,21-23,25H2,1-4H3/t29-,32-,34?,36-,40+,41-/m0/s1
InChIKey GGVGQVGEFJAJCK-BCLOJPNMSA-N
Literature Reference Author S.V.CHERNOV,E.E.SHULTS,M.M.SHAKIROV,G.A.TOLSTIKOV
Literature Reference Citation RUSS.J.ORG.CHEM.,38,665(2002)
Literature Reference DOI 10.1023/A:1019607005053
Molecular Weight 664.842 g/mol
Solvent CDCl3