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6'-PARA-HYDROXYBENZOYL_MUSSAENOSIDIC_ACID;HMA
SpectraBase Compound ID 5tradmpmBUU
InChI InChI=1S/C23H28O12/c1-23(31)7-6-12-13(19(28)29)8-33-21(15(12)23)35-22-18(27)17(26)16(25)14(34-22)9-32-20(30)10-2-4-11(24)5-3-10/h2-5,8,12,14-18,21-22,24-27,31H,6-7,9H2,1H3,(H,28,29)/t12-,14+,15-,16+,17-,18+,21+,22-,23+/m1/s1
InChIKey IUXOFSAPFXGQID-VQIZJOCYSA-N
Mol Weight 496.47 g/mol
Molecular Formula C23H28O12
Exact Mass 496.158076 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BPGyRaq6dZO
Name 6'-O-PARA-HYDROXYBENZOYL-MUSSAENOSIDIC_ACID
Compound Number 186
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C23H28O12
InChI InChI=1S/C23H28O12/c1-23(31)7-6-12-13(19(28)29)8-33-21(15(12)23)35-22-18(27)17(26)16(25)14(34-22)9-32-20(30)10-2-4-11(24)5-3-10/h2-5,8,12,14-18,21-22,24-27,31H,6-7,9H2,1H3,(H,28,29)/t12-,14+,15-,16+,17-,18+,21+,22-,23+/m1/s1
InChIKey IUXOFSAPFXGQID-VQIZJOCYSA-N
Literature Reference Author C.A.BOROS,F.R.STERMITZ
Literature Reference Citation J.NAT.PROD.,53,1055(1990)
Literature Reference DOI 10.1021/np50071a001
Molecular Weight 496.468 g/mol
Solvent DMSO-D6
Source File Reference UWMZ16169