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Byakangelicin, monoacetate

View entire compound with spectra: 1 NMR

Byakangelicin, monoacetate
SpectraBase Compound ID pbZdGfNRU6
InChI InChI=1S/C19H20O8/c1-10(20)26-13(19(2,3)22)9-25-18-16-12(7-8-24-16)15(23-4)11-5-6-14(21)27-17(11)18/h5-8,13,22H,9H2,1-4H3/t13-/m1/s1
InChIKey LCMMQFCZXXSQDH-CYBMUJFWSA-N
Mol Weight 376.36 g/mol
Molecular Formula C19H20O8
Exact Mass 376.115818 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 50FeekU8EZb
Name Byakangelicin, monoacetate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 376.115817596 u
Formula C19H20O8
InChI InChI=1S/C19H20O8/c1-10(20)26-13(19(2,3)22)9-25-18-16-12(7-8-24-16)15(23-4)11-5-6-14(21)27-17(11)18/h5-8,13,22H,9H2,1-4H3/t13-/m1/s1
InChIKey LCMMQFCZXXSQDH-CYBMUJFWSA-N
Molecular Weight 376.361 g/mol
SMILES C1(C=CC2=C(C3=C(C(=C2O1)OC[C@](C(C)(C)O)(OC(=O)C)[H])OC=C3)OC)=O