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METHYL-(1S,3S,8R)-17-ACETOXY-16-(2-BENZOYL-3-METHOXYCARBONYL-1,2,3,4-TETRAHYDRO-BETA-CARBOLIN-1-YL)-15,16-EPOXY-13(16),14-LABDADIEN-18-OATE

View entire compound with spectra: 1 NMR

METHYL-(1S,3S,8R)-17-ACETOXY-16-(2-BENZOYL-3-METHOXYCARBONYL-1,2,3,4-TETRAHYDRO-BETA-CARBOLIN-1-YL)-15,16-EPOXY-13(16),14-LABDADIEN-18-OATE
SpectraBase Compound ID YTzW07t2K7
InChI InChI=1S/C43H50N2O8/c1-26(46)53-25-29-17-19-35-42(2,21-11-22-43(35,3)41(49)51-5)32(29)18-16-27-20-23-52-38(27)37-36-31(30-14-9-10-15-33(30)44-36)24-34(40(48)50-4)45(37)39(47)28-12-7-6-8-13-28/h6-10,12-15,20,23,29,32,34-35,37,44H,11,16-19,21-22,24-25H2,1-5H3/t29-,32-,34+,35?,37-,42+,43-/m0/s1
InChIKey CXYTUHQEMIMWCZ-LDLOTVQDSA-N
Mol Weight 722.9 g/mol
Molecular Formula C43H50N2O8
Exact Mass 722.356717 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AlXgUSzoGWZ
Name METHYL-(1S,3S,8R)-17-ACETOXY-16-(2-BENZOYL-3-METHOXYCARBONYL-1,2,3,4-TETRAHYDRO-BETA-CARBOLIN-1-YL)-15,16-EPOXY-13(16),14-LABDADIEN-18-OATE
Compound Number XIV
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C43H50N2O8
InChI InChI=1S/C43H50N2O8/c1-26(46)53-25-29-17-19-35-42(2,21-11-22-43(35,3)41(49)51-5)32(29)18-16-27-20-23-52-38(27)37-36-31(30-14-9-10-15-33(30)44-36)24-34(40(48)50-4)45(37)39(47)28-12-7-6-8-13-28/h6-10,12-15,20,23,29,32,34-35,37,44H,11,16-19,21-22,24-25H2,1-5H3/t29-,32-,34+,35?,37-,42+,43-/m0/s1
InChIKey CXYTUHQEMIMWCZ-LDLOTVQDSA-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 722.879 g/mol
Solvent CDCl3