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(+/-)-1-ALPHA,4-ALPHA-DIBENZOYLOXY-3-ALPHA-(6-METHOXYCARBOYNL-2Z-HEXENYL)-2-BETA-(3-OXO-6-ETHOXYCARBONYL-2Z-HEPTENYL)-CYClOPENTANE

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(+/-)-1-ALPHA,4-ALPHA-DIBENZOYLOXY-3-ALPHA-(6-METHOXYCARBOYNL-2Z-HEXENYL)-2-BETA-(3-OXO-6-ETHOXYCARBONYL-2Z-HEPTENYL)-CYClOPENTANE
SpectraBase Compound ID Av7Vk1fP9lf
InChI InChI=1S/C37H44O9/c1-3-44-35(40)23-15-14-20-29(38)24-25-31-30(21-12-4-5-13-22-34(39)43-2)32(45-36(41)27-16-8-6-9-17-27)26-33(31)46-37(42)28-18-10-7-11-19-28/h4,6-12,16-19,24-25,30-33H,3,5,13-15,20-23,26H2,1-2H3/b12-4+,25-24-/t30-,31-,32+,33-/m1/s1
InChIKey JDAXTAVVXRZJHE-AJAFHSPISA-N
Mol Weight 632.8 g/mol
Molecular Formula C37H44O9
Exact Mass 632.298533 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5cnaSt57U6Z
Name (+/-)-1-ALPHA,4-ALPHA-DIBENZOYLOXY-3-ALPHA-(6-METHOXYCARBOYNL-2Z-HEXENYL)-2-BETA-(3-OXO-6-ETHOXYCARBONYL-2Z-HEPTENYL)-CYClOPENTANE
Compound Number XII
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C37H44O9
InChI InChI=1S/C37H44O9/c1-3-44-35(40)23-15-14-20-29(38)24-25-31-30(21-12-4-5-13-22-34(39)43-2)32(45-36(41)27-16-8-6-9-17-27)26-33(31)46-37(42)28-18-10-7-11-19-28/h4,6-12,16-19,24-25,30-33H,3,5,13-15,20-23,26H2,1-2H3/b12-4+,25-24-/t30-,31-,32+,33-/m1/s1
InChIKey JDAXTAVVXRZJHE-AJAFHSPISA-N
Literature Reference Author R.R.AKHMETVALEEV,F.A.AKBUTINA,T.A.BELOGAEVA,O.V.SHITIKOVA,M. S.MIFTAKHOV
Literature Reference Citation RUSS.J.ORG.CHEM.,38,487(2002)
Literature Reference DOI 10.1023/A:1016582703009
Molecular Weight 632.751 g/mol
Solvent CDCl3
Source File Reference UWMZ9552