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#1;HERPEPROPENAL;(Z)-3-[2-[4-HYDROXY-3-[3-HYDROXY-1-(4-HYDROXY-3-METHOXYPHENYL)-1-OXOPROPAN-2-YL]-5-METHOXYPHENYL]-3-(HYDROXYMETHYL)-7-METHOXY-2,3-DIHYDROBENZO
SpectraBase Compound ID CU29SrzOq9v
InChI InChI=1S/C30H30O10/c1-37-24-12-17(6-7-23(24)34)27(35)21(14-32)19-11-18(13-25(38-2)28(19)36)29-22(15-33)20-9-16(5-4-8-31)10-26(39-3)30(20)40-29/h4-13,21-22,29,32-34,36H,14-15H2,1-3H3/b5-4-/t21?,22-,29+/m0/s1
InChIKey XNEOELZDRXHBGF-HBQJVNMCSA-N
Mol Weight 550.56 g/mol
Molecular Formula C30H30O10
Exact Mass 550.183897 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4NCT5hlgNWF
Name #1;HERPEPROPENAL;(Z)-3-[2-[4-HYDROXY-3-[3-HYDROXY-1-(4-HYDROXY-3-METHOXYPHENYL)-1-OXOPROPAN-2-YL]-5-METHOXYPHENYL]-3-(HYDROXYMETHYL)-7-METHOXY-2,3-DIHYDROBENZO
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C30H30O10
InChI InChI=1S/C30H30O10/c1-37-24-12-17(6-7-23(24)34)27(35)21(14-32)19-11-18(13-25(38-2)28(19)36)29-22(15-33)20-9-16(5-4-8-31)10-26(39-3)30(20)40-29/h4-13,21-22,29,32-34,36H,14-15H2,1-3H3/b5-4-/t21?,22-,29+/m0/s1
InChIKey XNEOELZDRXHBGF-HBQJVNMCSA-N
Literature Reference Author F.YANG,H.J.ZHANG,Y.Y.ZHANG,W.S.CHEN,H.L.YUAN,H.W.LIN
Literature Reference Citation CHEM.PHARM.BULL.,58,402(2010)
Literature Reference DOI 10.1248/cpb.58.402
Molecular Weight 550.562 g/mol
Sample ID 3422
Solvent CD3OD