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ERLANGERIN-B;2-ALPHA-ACETOXY-6-METHOXY-PICROPOLYGAMATIN
SpectraBase Compound ID Czk3FUXekB5
InChI InChI=1S/C24H24O9/c1-12(25)33-24-15(10-30-23(24)26)7-14-9-18(27-2)21(28-3)22(29-4)19(14)20(24)13-5-6-16-17(8-13)32-11-31-16/h5-6,8-9,15,20H,7,10-11H2,1-4H3/t15-,20+,24-/m0/s1
InChIKey SEMJADKBFZYYKQ-VNJOCVIMSA-N
Mol Weight 456.45 g/mol
Molecular Formula C24H24O9
Exact Mass 456.142032 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3XiK5dtFGmf
Name 2.alpha.-Acetoxy-6-methoxypolygamatin
Appearance Colorless crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H24O9
InChI InChI=1S/C24H24O9/c1-12(25)33-24-15(10-30-23(24)26)7-14-9-18(27-2)21(28-3)22(29-4)19(14)20(24)13-5-6-16-17(8-13)32-11-31-16/h5-6,8-9,15,20H,7,10-11H2,1-4H3/t15-,20+,24-/m0/s1
InChIKey SEMJADKBFZYYKQ-VNJOCVIMSA-N
Instrument Name Finnigan MAT 95Q
Ionization Type EI
Literature Reference DOI 10.1021/np020028j
Molecular Weight 456.447 g/mol
Optical Rotation [a]D22 = +131 (c = 0.15, CHCl3)
Reported Formula C24H24O9
SMILES c1(OC)c(OC)c(OC)c2[C@@](c3cc4OCOc4cc3)([C@]3(OC(=O)C)C(=O)OC[C@]3([H])Cc2c1)[H]
SPLASH splash10-0002-0109200000-44c53471f534d11f6fa6
Source of Spectrum G4-65-1256-2
Synonyms erlangerin B
Thin-Layer Chromatography Rf = 0.78 (CHCl3/MeOH, 95:5)
Wiley ID 1883843