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ALPHA-TELLIMAGRANDIN-I

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ALPHA-TELLIMAGRANDIN-I
SpectraBase Compound ID JV7UwrAGXcw
InChI InChI=1S/C34H26O22/c35-12-1-8(2-13(36)21(12)41)30(47)55-28-27-18(53-34(51)29(28)56-31(48)9-3-14(37)22(42)15(38)4-9)7-52-32(49)10-5-16(39)23(43)25(45)19(10)20-11(33(50)54-27)6-17(40)24(44)26(20)46/h1-6,18,27-29,34-46,51H,7H2/t18-,27-,28+,29-,34+/m1/s1
InChIKey YKDNTEQLKGYZHT-MRMVTXEMSA-N
Mol Weight 786.6 g/mol
Molecular Formula C34H26O22
Exact Mass 786.091572 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Dy4WoS2K8ac
Name ALPHA-TELLIMAGRANDIN-I
Compound Number 8
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C34H26O22
InChI InChI=1S/C34H26O22/c35-12-1-8(2-13(36)21(12)41)30(47)55-28-27-18(53-34(51)29(28)56-31(48)9-3-14(37)22(42)15(38)4-9)7-52-32(49)10-5-16(39)23(43)25(45)19(10)20-11(33(50)54-27)6-17(40)24(44)26(20)46/h1-6,18,27-29,34-46,51H,7H2/t18-,27-,28+,29-,34+/m1/s1
InChIKey YKDNTEQLKGYZHT-MRMVTXEMSA-N
Literature Reference Author M.H.KIM,S.Y.HA,M.H.OH,H.H.KIM,S.R.KIM,M.W.LEE
Literature Reference Citation MOLECULES,18,4876(2013)
Literature Reference DOI 10.3390/molecules18054876
Molecular Weight 786.567 g/mol
Solvent ACETONE-D6:D2O
Source File Reference UWBT9319