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8-o-(2-Hydroxymethyl-2-propenoyl)-3-acetoxy-4(15),10(14),11(13)-guaiatrien-12,6-olide

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8-o-(2-Hydroxymethyl-2-propenoyl)-3-acetoxy-4(15),10(14),11(13)-guaiatrien-12,6-olide
SpectraBase Compound ID D38yYx6lC3I
InChI InChI=1S/C21H24O7/c1-9-6-16(27-20(24)10(2)8-22)18-12(4)21(25)28-19(18)17-11(3)15(7-14(9)17)26-13(5)23/h14-19,22H,1-4,6-8H2,5H3/t14-,15-,16-,17-,18?,19?/m0/s1
InChIKey MBMSLKDVDHZHFK-DLUNXRHZSA-N
Mol Weight 388.42 g/mol
Molecular Formula C21H24O7
Exact Mass 388.152203 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2IRn7DsOsMu
Name 8-o-(2-Hydroxymethyl-2-propenoyl)-3-acetoxy-4(15),10(14),11(13)-guaiatrien-12,6-olide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 388.152203106 u
Formula C21H24O7
InChI InChI=1S/C21H24O7/c1-9-6-16(27-20(24)10(2)8-22)18-12(4)21(25)28-19(18)17-11(3)15(7-14(9)17)26-13(5)23/h14-19,22H,1-4,6-8H2,5H3/t14-,15-,16-,17-,18?,19?/m0/s1
InChIKey MBMSLKDVDHZHFK-DLUNXRHZSA-N
Molecular Weight 388.416 g/mol
SMILES C12[C@@]3([C@](C(=C)C[C@@](C2C(=C)C(O1)=O)(OC(C(=C)CO)=O)[H])(C[C@@](C3=C)(OC(=O)C)[H])[H])[H]