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2-(((4ar,6S,7R,8R,8as)-7-acetamido-6-phenoxy-2-phenylhexahydropyrano[3,2-D][1,3]dioxin-8-yl)oxy)acetic acid

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2-(((4ar,6S,7R,8R,8as)-7-acetamido-6-phenoxy-2-phenylhexahydropyrano[3,2-D][1,3]dioxin-8-yl)oxy)acetic acid
SpectraBase Compound ID L3B6kb5AwBG
InChI InChI=1S/C23H25NO8/c1-14(25)24-19-21(28-13-18(26)27)20-17(31-23(19)30-16-10-6-3-7-11-16)12-29-22(32-20)15-8-4-2-5-9-15/h2-11,17,19-23H,12-13H2,1H3,(H,24,25)(H,26,27)
InChIKey DVENRNKFWMZEEL-UHFFFAOYSA-N
Mol Weight 443.45 g/mol
Molecular Formula C23H25NO8
Exact Mass 443.158017 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7VrNfZMPcKS
Name 2-(((4ar,6S,7R,8R,8as)-7-acetamido-6-phenoxy-2-phenylhexahydropyrano[3,2-D][1,3]dioxin-8-yl)oxy)acetic acid
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 443.158016761 u
Formula C23H25NO8
InChI InChI=1S/C23H25NO8/c1-14(25)24-19-21(28-13-18(26)27)20-17(31-23(19)30-16-10-6-3-7-11-16)12-29-22(32-20)15-8-4-2-5-9-15/h2-11,17,19-23H,12-13H2,1H3,(H,24,25)(H,26,27)
InChIKey DVENRNKFWMZEEL-UHFFFAOYSA-N
Molecular Weight 443.452 g/mol
SMILES OC(COC1C(C(OC2COC(OC12)C1=CC=CC=C1)OC=1C=CC=CC1)NC(=O)C)=O