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ERANTHY-BETA-GENTIOBIOSIDE;9[[(BETA-D-GENTIOBIOSYL)-OXY]-METHYL]-8,11-DIHYDRO-5-HYDROXY-2-METHYL-4H-PYRANO-[2,3-G]-[1]-BENZOXEPIN-4-ONE
SpectraBase Compound ID AJhgCeMMkz7
InChI InChI=1S/C27H34O15/c1-10-4-13(29)18-14(30)5-15-12(25(18)40-10)3-2-11(7-37-15)8-38-26-24(36)22(34)20(32)17(42-26)9-39-27-23(35)21(33)19(31)16(6-28)41-27/h2,4-5,16-17,19-24,26-28,30-36H,3,6-9H2,1H3/t16-,17-,19-,20-,21+,22+,23-,24-,26-,27-/m0/s1
InChIKey HJOAQEYWNOPRHE-MPPCRLEZSA-N
Mol Weight 598.6 g/mol
Molecular Formula C27H34O15
Exact Mass 598.18977 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5WLk2Yp21De
Name ERANTHY-BETA-GENTIOBIOSIDE;9[[(BETA-D-GENTIOBIOSYL)-OXY]-METHYL]-8,11-DIHYDRO-5-HYDROXY-2-METHYL-4H-PYRANO-[2,3-G]-[1]-BENZOXEPIN-4-ONE
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H34O15
InChI InChI=1S/C27H34O15/c1-10-4-13(29)18-14(30)5-15-12(25(18)40-10)3-2-11(7-37-15)8-38-26-24(36)22(34)20(32)17(42-26)9-39-27-23(35)21(33)19(31)16(6-28)41-27/h2,4-5,16-17,19-24,26-28,30-36H,3,6-9H2,1H3/t16-,17-,19-,20-,21+,22+,23-,24-,26-,27-/m0/s1
InChIKey HJOAQEYWNOPRHE-MPPCRLEZSA-N
Literature Reference Author B.KOPP,E.KUBELKA,C.REICH,W.ROBIEN,W.KUBELKA
Literature Reference Citation HELV.CHIM.ACTA,74,611(1991)
Literature Reference DOI 10.1002/hlca.19910740318
Molecular Weight 598.558 g/mol
Solvent DMSO-D6
Source File Reference UWVP5961