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METHYL-(2'-R,3'-S,4'-R,6'-S,5-RS)-7-[4-BENZOYLOXY-6-METHOXY-3-(2-Z-OCTENYL)-TETRAHYDROPYRAN-2-YL]-5-HYDROXY-6-E-HEPTENOATE;MIXTURE_OF_ISOMERS

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METHYL-(2'-R,3'-S,4'-R,6'-S,5-RS)-7-[4-BENZOYLOXY-6-METHOXY-3-(2-Z-OCTENYL)-TETRAHYDROPYRAN-2-YL]-5-HYDROXY-6-E-HEPTENOATE;MIXTURE_OF_ISOMERS
SpectraBase Compound ID 3ougMSXN9Pn
InChI InChI=1S/2C30H44O7/c2*1-4-6-7-8-9-13-18-25-26(21-20-24(31)17-14-19-28(32)35-5-2)36-29(34-3)22-27(25)37-30(33)23-15-11-10-12-16-23/h2*9-13,15-16,20-21,24-27,29,31H,4-8,14,17-19,22H2,1-3H3/b2*13-9-,21-20+/t24-,25+,26+,27+,29-;24-,25-,26-,27-,29+/m01/s1
InChIKey JGSXYFDMFWXIEK-YOUNIXBHSA-N
Mol Weight 1033.4 g/mol
Molecular Formula C60H88O14
Exact Mass 1032.617407 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KGg3j9F4nB3
Name METHYL-(2'-R,3'-S,4'-R,6'-S,5-RS)-7-[4-BENZOYLOXY-6-METHOXY-3-(2-Z-OCTENYL)-TETRAHYDROPYRAN-2-YL]-5-HYDROXY-6-E-HEPTENOATE;MIXTURE_OF_ISOMERS
Compound Number XI
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C60H88O14
InChI InChI=1S/2C30H44O7/c2*1-4-6-7-8-9-13-18-25-26(21-20-24(31)17-14-19-28(32)35-5-2)36-29(34-3)22-27(25)37-30(33)23-15-11-10-12-16-23/h2*9-13,15-16,20-21,24-27,29,31H,4-8,14,17-19,22H2,1-3H3/b2*13-9-,21-20+/t24-,25+,26+,27+,29-;24-,25-,26-,27-,29+/m01/s1
InChIKey JGSXYFDMFWXIEK-YOUNIXBHSA-N
Literature Reference Author R.R.AKHMETVALLEV,R.V.BIKBULATOV,T.A.BELOGAEVA,F.A.AKBUTINA,M .S.MIFTAKHOV
Literature Reference Citation RUSS.J.ORG.CHEM.,39,658(2003)
Literature Reference DOI 10.1023/A:1026053111451
Molecular Weight 1033.350 g/mol
Solvent CDCl3
Source File Reference UWMZ21717