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#XXXI_A;(1S,2R,6S,7S)-4-DIPHENYLMETHYL-8-[18-CARBOXY-13,14,15,16-TETRANORLABD-8-(17)-EN-12-YL]-10-OXA-4-AZATRICYCLO-[5.2.1.0-(2.6)]-DEC-8-ENE-3,5-DIONE

View entire compound with spectra: 2 NMR

#XXXI_A;(1S,2R,6S,7S)-4-DIPHENYLMETHYL-8-[18-CARBOXY-13,14,15,16-TETRANORLABD-8-(17)-EN-12-YL]-10-OXA-4-AZATRICYCLO-[5.2.1.0-(2.6)]-DEC-8-ENE-3,5-DIONE
SpectraBase Compound ID k4kXjgz1zE
InChI InChI=1S/C37H41NO5/c1-22-15-18-28-36(2,19-10-20-37(28,3)35(41)42)26(22)17-16-25-21-27-29-30(32(25)43-27)34(40)38(33(29)39)31(23-11-6-4-7-12-23)24-13-8-5-9-14-24/h4-9,11-14,21,26-32H,1,10,15-20H2,2-3H3,(H,41,42)/t26-,27+,28+,29-,30-,32-,36+,37-/m0/s1
InChIKey MQYQUQZLVBFPIS-HIHCQFKUSA-N
Mol Weight 579.7 g/mol
Molecular Formula C37H41NO5
Exact Mass 579.298473 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2Jpk7Rd9BpT
Name #XXXII_B;(1-R,2-R,6-S,7-R)-4-DIPHENYLMETHYL-8-[18-CARBOXY-13,14,15,16-TETRANORLABD-8-(17)-EN-12-YL]-10-OXA-4-AZATRICYCLO-[5.2.1.0-(2.6)]-DEC-8-ENE-3,5-DIONE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C37H41NO5
InChI InChI=1S/C37H41NO5/c1-22-15-18-28-36(2,19-10-20-37(28,3)35(41)42)26(22)17-16-25-21-27-29-30(32(25)43-27)34(40)38(33(29)39)31(23-11-6-4-7-12-23)24-13-8-5-9-14-24/h4-9,11-14,21,26-32H,1,10,15-20H2,2-3H3,(H,41,42)/t26-,27+,28+,29-,30-,32-,36+,37-/m0/s1
InChIKey MQYQUQZLVBFPIS-HIHCQFKUSA-N
Literature Reference Author Y.V.KHARITONOV,E.E.SHULTS,M.M.SHAKIROV,G.A.TOLSTIKOV
Literature Reference Citation RUSS.J.ORG.CHEM.,39,57(2003)
Molecular Weight 579.736 g/mol
Sample ID 26964
Solvent CDCl3