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Clemoarmanoside B [Benzoic acid 4-[[6'-O-[4"-(.beta.D-glucopyranosyloxy)benzoyl]-.beta.,D-glucopyranosyl]oxy]-3-methoxyintramol-1,6"'-ester]
SpectraBase Compound ID 7z7GnC7dgtp
InChI InChI=1S/C27H30O15/c1-36-15-8-12-4-7-14(15)40-27-23(33)21(31)19(29)17(42-27)9-37-24(34)11-2-5-13(6-3-11)39-26-22(32)20(30)18(28)16(41-26)10-38-25(12)35/h2-8,16-23,26-33H,9-10H2,1H3/t16-,17-,18-,19-,20+,21+,22-,23-,26-,27-/m1/s1
InChIKey UGUZRCKTRLIZNK-JURGFTTKSA-N
Mol Weight 594.52 g/mol
Molecular Formula C27H30O15
Exact Mass 594.15847 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FnS4jtlLV77
Name Clemoarmanoside B [Benzoic acid 4-[[6'-O-[4"-(.beta.D-glucopyranosyloxy)benzoyl]-.beta.,D-glucopyranosyl]oxy]-3-methoxyintramol-1,6"'-ester]
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H30O15
InChI InChI=1S/C27H30O15/c1-36-15-8-12-4-7-14(15)40-27-23(33)21(31)19(29)17(42-27)9-37-24(34)11-2-5-13(6-3-11)39-26-22(32)20(30)18(28)16(41-26)10-38-25(12)35/h2-8,16-23,26-33H,9-10H2,1H3/t16-,17-,18-,19-,20+,21+,22-,23-,26-,27-/m1/s1
InChIKey UGUZRCKTRLIZNK-JURGFTTKSA-N
Molecular Weight 594.522 g/mol
SMILES O[C@@]1([C@]([C@@]2(Oc3ccc(C(OC[C@]4(O[C@]([C@@]([C@]([C@@]4(O)[H])(O)[H])(O)[H])(Oc4ccc(C(OC[C@]([C@]1(O)[H])(O2)[H])=O)cc4)[H])[H])=O)cc3OC)[H])(O)[H])[H]
SPLASH splash10-0uxr-0900000000-a08cdf4385853d490550
Source of Spectrum H1-68-1923-2
Wiley ID 1593611