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HERPETIN;3-BENZOFURAN-METHANOL-2,3-DIHYDRO-2-(4-HYDROXY-3-METHOXYPHENYL)-4-METHOXY-6-[TETRAHYDRO-2-(3-HYDROXY-4-METHOXYPHENYL)-3-METHANOL]-2-FURANMETHYL
SpectraBase Compound ID 8ETJU5bSGWr
InChI InChI=1S/C30H34O9/c1-35-24-7-5-17(11-23(24)34)29-20(13-31)19(15-38-29)8-16-9-26(37-3)28-21(14-32)30(39-27(28)10-16)18-4-6-22(33)25(12-18)36-2/h4-7,9-12,19-21,29-34H,8,13-15H2,1-3H3/t19-,20-,21+,29+,30-/m1/s1
InChIKey SJZXYZSOMZHEJA-VTWHAPIESA-N
Mol Weight 538.6 g/mol
Molecular Formula C30H34O9
Exact Mass 538.220283 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5zWRht0IP7O
Name 3-BENZOFURANMETHANOL-2,3-DIHYDRO-2-(4-HYDROXY-3-METHOXYPHENYL)-4-METHOXY-6-[TETRAHYDRO-2-(3-HYDROXY-4-METHOXYPHENYL)-3-METHANOL]-2-FURANMETHYL
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C30H34O9
InChI InChI=1S/C30H34O9/c1-35-24-7-5-17(11-23(24)34)29-20(13-31)19(15-38-29)8-16-9-26(37-3)28-21(14-32)30(39-27(28)10-16)18-4-6-22(33)25(12-18)36-2/h4-7,9-12,19-21,29-34H,8,13-15H2,1-3H3/t19-,20-,21+,29+,30-/m1/s1
InChIKey SJZXYZSOMZHEJA-VTWHAPIESA-N
Literature Reference Author H.L.YUAN,M.YANG,X.Y.LI,R.H.YOU,Y.LIU,J.ZHU,H.XIE,X.H.XIAO
Literature Reference Citation CHEM.PHARM.BULL.,54,1592(2006)
Literature Reference DOI 10.1248/cpb.54.1592
Molecular Weight 538.595 g/mol
Sample ID 55355
Solvent CD3OD