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1-BETA-HYDROXY-7,9-DEACETYLBACCATIN-1
SpectraBase Compound ID 5ZRbfe9dWIG
InChI InChI=1S/C28H40O12/c1-12-17(37-13(2)29)10-28(35)24(40-16(5)32)22-26(8,18(33)9-19(38-14(3)30)27(22)11-36-27)23(34)21(39-15(4)31)20(12)25(28,6)7/h17-19,21-24,33-35H,9-11H2,1-8H3/t17-,18-,19?,21+,22-,23-,24-,26+,27+,28+/m0/s1
InChIKey WJMBBODKITXTJA-MTIFNHBVSA-N
Mol Weight 568.6 g/mol
Molecular Formula C28H40O12
Exact Mass 568.251977 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7mWdslS8yj7
Name 1-BETA-HYDROXY-7,9-DEACETYLBACCATIN-1
Compound Number 14
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H40O12
InChI InChI=1S/C28H40O12/c1-12-17(37-13(2)29)10-28(35)24(40-16(5)32)22-26(8,18(33)9-19(38-14(3)30)27(22)11-36-27)23(34)21(39-15(4)31)20(12)25(28,6)7/h17-19,21-24,33-35H,9-11H2,1-8H3/t17-,18-,19?,21+,22-,23-,24-,26+,27+,28+/m0/s1
InChIKey WJMBBODKITXTJA-MTIFNHBVSA-N
Literature Reference Author L.O.ZAMIR,M.E.NEDEA,Z.H.ZHOU,S.BELAIR,G.CARON,F.SAURIOL,E.JA CQMAIN,F.I.JEAN,F.X.
Literature Reference Citation CAN.J.CHEM.,73,655(1995)
Literature Reference DOI 10.1139/v95-084
Molecular Weight 568.618 g/mol
Solvent CDCl3
Source File Reference UWCS15862