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(+/-)-6BETA-(3-OXO-1E-OCTENYL)-7ALPHA-HYDROXY-3BETA-(1-IODO-4-METHOXYCARBONYLBUTYL)-CIS-2-OXABICYCLO[3.3.0]OCTANE
SpectraBase Compound ID 2x3aznHq49b
InChI InChI=1S/C21H33IO5/c1-3-4-5-7-14(23)10-11-15-16-12-20(27-19(16)13-18(15)24)17(22)8-6-9-21(25)26-2/h10-11,15-20,24H,3-9,12-13H2,1-2H3/b11-10+/t15-,16-,17-,18-,19+,20-/m0/s1
InChIKey VAGRLCDCLFLACL-WSFVVKSRSA-N
Mol Weight 492.4 g/mol
Molecular Formula C21H33IO5
Exact Mass 492.137269 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DIMxd7xTk05
Name (+/-)-6BETA-(3-OXO-1E-OCTENYL)-7ALPHA-HYDROXY-3BETA-(1-IODO-4-METHOXYCARBONYLBUTYL)-CIS-2-OXABICYCLO[3.3.0]OCTANE
Comments ca
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Formula C21H33IO5
InChI InChI=1S/C21H33IO5/c1-3-4-5-7-14(23)10-11-15-16-12-20(27-19(16)13-18(15)24)17(22)8-6-9-21(25)26-2/h10-11,15-20,24H,3-9,12-13H2,1-2H3/b11-10+/t15-,16-,17-,18-,19+,20-/m0/s1
InChIKey VAGRLCDCLFLACL-WSFVVKSRSA-N
Instrument Name Jeol FX-90
Literature Reference G.A.TOLSTIKOV, M.S.MIFTAKHOV, N.G.KOMISSAROVA, N.K.SELEZNEVA (1992)Zhurn.Org.Khim.(Russ. Lang.): v.28, N9, 1870-1874.
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3 chloroform-d