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(+)-BUXABENZAMIDIENINE;(20S)-3-BETA-BENZOYLAMINO-20-DIMETHYLAMINO-9,10-SECO-BUXA-9(11),10(19)-DIENE
SpectraBase Compound ID LelUdGFUZzs
InChI InChI=1S/C33H48N2O/c1-22(35(6)7)26-18-20-33(5)28-15-14-27-24(21-25(28)17-19-32(26,33)4)13-16-29(31(27,2)3)34-30(36)23-11-9-8-10-12-23/h8-12,17,21-22,26-29H,13-16,18-20H2,1-7H3,(H,34,36)/t22-,26+,27+,28+,29-,32+,33-/m0/s1
InChIKey PDEYVCIISSAEBG-DVSQZFJSSA-N
Mol Weight 488.8 g/mol
Molecular Formula C33H48N2O
Exact Mass 488.376664 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JLEHXViGhD
Name (+)-BUXABENZAMIDIENINE;(20S)-3-BETA-BENZOYLAMINO-20-DIMETHYLAMINO-9,10-SECO-BUXA-9(11),10(19)-DIENE
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C33H48N2O
InChI InChI=1S/C33H48N2O/c1-22(35(6)7)26-18-20-33(5)28-15-14-27-24(21-25(28)17-19-32(26,33)4)13-16-29(31(27,2)3)34-30(36)23-11-9-8-10-12-23/h8-12,17,21-22,26-29H,13-16,18-20H2,1-7H3,(H,34,36)/t22-,26+,27+,28+,29-,32+,33-/m0/s1
InChIKey PDEYVCIISSAEBG-DVSQZFJSSA-N
Literature Reference Author A.U.RAHMAN,D.AHMED,E.ASIF,S.A.JAMAL,M.I.CHOUDHARY,B.SENER,S. TURKOZ
Literature Reference Citation PHYTOCHEM.,30,1295(1991)
Literature Reference DOI 10.1016/S0031-9422(00)95219-1
Molecular Weight 488.757 g/mol
Solvent CDCl3
Source File Reference UWLU34279