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8.beta.-(Angeloyloxy)-2.alpha., 3.beta.-dihydroxy-6.beta.H, 7.alpha.H-germacra-1(10),11(13)-dien-12,6-olide
SpectraBase Compound ID 1QhIxWC2MKC
InChI InChI=1S/C20H26O6/c1-6-11(3)19(23)25-15-8-10(2)7-14(21)18(22)12(4)9-16-17(15)13(5)20(24)26-16/h6-7,9,14-18,21-22H,5,8H2,1-4H3/b10-7+,11-6-,12-9+/t14-,15?,16-,17?,18-/m1/s1
InChIKey YVIZWFNTHTXVCE-DEYPKLFZSA-N
Mol Weight 362.42 g/mol
Molecular Formula C20H26O6
Exact Mass 362.172939 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1GcYYIAAxNe
Name 8.beta.-(Angeloyloxy)-2.alpha., 3.beta.-dihydroxy-6.beta.H, 7.alpha.H-germacra-1(10),11(13)-dien-12,6-olide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 362.172938551 u
Formula C20H26O6
InChI InChI=1S/C20H26O6/c1-6-11(3)19(23)25-15-8-10(2)7-14(21)18(22)12(4)9-16-17(15)13(5)20(24)26-16/h6-7,9,14-18,21-22H,5,8H2,1-4H3/b10-7+,11-6-,12-9+/t14-,15?,16-,17?,18-/m1/s1
InChIKey YVIZWFNTHTXVCE-DEYPKLFZSA-N
Molecular Weight 362.422 g/mol
SMILES C1(C(C2C(OC(\C(=C/C)C)=O)C\C(=C\[C@]([C@@](\C(=C\[C@]2(O1)[H])C)(O)[H])(O)[H])C)=C)=O