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MOLLUGOSIDE;8-ALPHA-HYDROXY-APODANTHOSIDE
SpectraBase Compound ID 7R2OKgJVNnR
InChI InChI=1S/C17H22O12/c1-26-13(22)7-5-27-14(9-6(7)2-3-17(9,25)16(23)24)29-15-12(21)11(20)10(19)8(4-18)28-15/h2-3,5-6,8-12,14-15,18-21,25H,4H2,1H3,(H,23,24)/t6-,8+,9-,10+,11-,12+,14+,15-,17-/m1/s1
InChIKey MLZKYGRNLPVMHX-YTBMVYHUSA-N
Mol Weight 418.35 g/mol
Molecular Formula C17H22O12
Exact Mass 418.111126 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BEWcVI1DtsJ
Name MOLLUGOSIDE;8-ALPHA-HYDROXY-APODANTHOSIDE
Compound Number 290
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H22O12
InChI InChI=1S/C17H22O12/c1-26-13(22)7-5-27-14(9-6(7)2-3-17(9,25)16(23)24)29-15-12(21)11(20)10(19)8(4-18)28-15/h2-3,5-6,8-12,14-15,18-21,25H,4H2,1H3,(H,23,24)/t6-,8+,9-,10+,11-,12+,14+,15-,17-/m1/s1
InChIKey MLZKYGRNLPVMHX-YTBMVYHUSA-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 418.354 g/mol
Solvent D2O
Source File Reference UWMZ16252