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ISOEDULIRIN_A;(-)-[(2-R,3-S,4-R,5-R,10-S)-2,3,4,5-TETRAHYDRO-5,10-DIHYDROXY-2-(4-METHOXYPHENYL)-6-METHOXY-7,8-METHYLENEDIOXY-4-PHENYL-2,5-METHANO

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ISOEDULIRIN_A;(-)-[(2-R,3-S,4-R,5-R,10-S)-2,3,4,5-TETRAHYDRO-5,10-DIHYDROXY-2-(4-METHOXYPHENYL)-6-METHOXY-7,8-METHYLENEDIOXY-4-PHENYL-2,5-METHANO
SpectraBase Compound ID 3ilW7Mcbutt
InChI InChI=1S/C36H40N2O9/c1-20(2)17-27(39)37-26-11-8-16-38(26)33(40)30-28(21-9-6-5-7-10-21)35(42)29-24(18-25-31(32(29)44-4)46-19-45-25)47-36(30,34(35)41)22-12-14-23(43-3)15-13-22/h5-7,9-10,12-15,18,20,26,28,30,34,41-42H,8,11,16-17,19H2,1-4H3,(H,37,39)/t26?,28-,30+,34?,35+,36-/m0/s1
InChIKey OGUVNAOFGVQDDN-SLJYRQMGSA-N
Mol Weight 644.7 g/mol
Molecular Formula C36H40N2O9
Exact Mass 644.273381 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AhRc9WHUAKU
Name ISOEDULIRIN_A;(-)-[(2-R,3-S,4-R,5-R,10-S)-2,3,4,5-TETRAHYDRO-5,10-DIHYDROXY-2-(4-METHOXYPHENYL)-6-METHOXY-7,8-METHYLENEDIOXY-4-PHENYL-2,5-METHANO
Compound Number 8
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C36H40N2O9
InChI InChI=1S/C36H40N2O9/c1-20(2)17-27(39)37-26-11-8-16-38(26)33(40)30-28(21-9-6-5-7-10-21)35(42)29-24(18-25-31(32(29)44-4)46-19-45-25)47-36(30,34(35)41)22-12-14-23(43-3)15-13-22/h5-7,9-10,12-15,18,20,26,28,30,34,41-42H,8,11,16-17,19H2,1-4H3,(H,37,39)/t26?,28-,30+,34?,35+,36-/m0/s1
InChIKey OGUVNAOFGVQDDN-SLJYRQMGSA-N
Literature Reference Author S.KIM,Y.W.CHIN,B.N.SU,S.RISWAN,L.B.S.KARDONO,J.J.AFRIASTINI, H.CHAI,N.R.FARNSWORT
Literature Reference Citation J.NAT.PROD.,69,1769(2006)
Literature Reference DOI 10.1021/np060428x
Molecular Weight 644.722 g/mol
Solvent CD3OD
Source File Reference UWMZ17667