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object
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_id
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LQINBcPwcd3
spectrumID
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LQINBcPwcd3
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262144
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analyticalTechnique
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13C NMR
analyticalTechniqueLongName
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13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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(5R,5aR,8aR,9R)-5-methoxy-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-isobenzofurano[5,6-f][1,3]benzodioxol-8-one
SpectraBase Compound ID CECdgPw3MSH
InChI InChI=1S/C23H24O8/c1-25-17-5-11(6-18(26-2)22(17)28-4)19-12-7-15-16(31-10-30-15)8-13(12)21(27-3)14-9-29-23(24)20(14)19/h5-8,14,19-21H,9-10H2,1-4H3/t14-,19+,20-,21-/m0/s1
InChIKey XQXXTTFZQSPXBR-MGNXDGSBSA-N
Mol Weight 428.44 g/mol
Molecular Formula C23H24O8
Exact Mass 428.147118 g/mol
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13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LQINBcPwcd3
Name (5R,5aR,8aR,9R)-5-methoxy-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-isobenzofurano[5,6-f][1,3]benzodioxol-8-one
Compound Number 10
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C23H24O8
InChI InChI=1S/C23H24O8/c1-25-17-5-11(6-18(26-2)22(17)28-4)19-12-7-15-16(31-10-30-15)8-13(12)21(27-3)14-9-29-23(24)20(14)19/h5-8,14,19-21H,9-10H2,1-4H3/t14-,19+,20-,21-/m0/s1
InChIKey XQXXTTFZQSPXBR-MGNXDGSBSA-N
Literature Reference Author J.M.M.DELCORRAL,M.GORDALIZA,M.A.CASTRO,L.J.MORALES,J.L.LOPEZ ,A.S.FELICIANO
Literature Reference Citation J.NAT.PROD.,58,870(1995)
Literature Reference DOI 10.1021/np50120a008
Molecular Weight 428.439 g/mol
Solvent CDCl3
Source File Reference UWVP4094
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