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(1S)-16-(2-BENZOYL-1,2,3,4-TETRAHYDRO-BETA-CARBOLIN-1-YL)-15,16-EPOXY-1-METHYL-8(17),13(16),14-LABDATRIEN-18-OATE
SpectraBase Compound ID 6JxanFHzbEr
InChI InChI=1S/C39H44N2O4/c1-25-15-18-32-38(2,21-10-22-39(32,3)37(43)44-4)30(25)17-16-26-20-24-45-35(26)34-33-29(28-13-8-9-14-31(28)40-33)19-23-41(34)36(42)27-11-6-5-7-12-27/h5-9,11-14,20,24,30,32,34,40H,1,10,15-19,21-23H2,2-4H3/t30-,32?,34+,38+,39-/m0/s1
InChIKey PEHRWCOWTQFDTN-NZEZYBGVSA-N
Mol Weight 604.8 g/mol
Molecular Formula C39H44N2O4
Exact Mass 604.330108 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 90dGUB1J3tW
Name (1S)-16-(2-BENZOYL-1,2,3,4-TETRAHYDRO-BETA-CARBOLIN-1-YL)-15,16-EPOXY-1-METHYL-8(17),13(16),14-LABDATRIEN-18-OATE
Compound Number VI
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C39H44N2O4
InChI InChI=1S/C39H44N2O4/c1-25-15-18-32-38(2,21-10-22-39(32,3)37(43)44-4)30(25)17-16-26-20-24-45-35(26)34-33-29(28-13-8-9-14-31(28)40-33)19-23-41(34)36(42)27-11-6-5-7-12-27/h5-9,11-14,20,24,30,32,34,40H,1,10,15-19,21-23H2,2-4H3/t30-,32?,34+,38+,39-/m0/s1
InChIKey PEHRWCOWTQFDTN-NZEZYBGVSA-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 604.789 g/mol
Solvent CDCl3