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R-(+)-4-(2,3-dihydroxy-3-methylbutoxy)-7H-furo[3,2-G][1]benzopyran-7-one monoacetate

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R-(+)-4-(2,3-dihydroxy-3-methylbutoxy)-7H-furo[3,2-G][1]benzopyran-7-one monoacetate
SpectraBase Compound ID 8pNMzipn8Zo
InChI InChI=1S/C18H18O7/c1-10(19)25-18(2,3)15(20)9-23-17-11-4-5-16(21)24-14(11)8-13-12(17)6-7-22-13/h4-8,15,20H,9H2,1-3H3/t15-/m1/s1
InChIKey CBXPWAIJBALCRV-OAHLLOKOSA-N
Mol Weight 346.34 g/mol
Molecular Formula C18H18O7
Exact Mass 346.105253 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID A2vVB7Djxi9
Name R-(+)-4-(2,3-dihydroxy-3-methylbutoxy)-7H-furo[3,2-G][1]benzopyran-7-one monoacetate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 346.105252913 u
Formula C18H18O7
InChI InChI=1S/C18H18O7/c1-10(19)25-18(2,3)15(20)9-23-17-11-4-5-16(21)24-14(11)8-13-12(17)6-7-22-13/h4-8,15,20H,9H2,1-3H3/t15-/m1/s1
InChIKey CBXPWAIJBALCRV-OAHLLOKOSA-N
Molecular Weight 346.335 g/mol
SMILES C=12C(OC(C=C2)=O)=CC2=C(C1OC[C@](C(OC(=O)C)(C)C)(O)[H])C=CO2