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(1R(*),2R(*),3R(*),6S(*),7R(*),9R(*),10S(*),11Z,14R(*))-6-acetoxyeunicella-11-ene-3,7-diol
SpectraBase Compound ID JrZ94PpG5J7
InChI InChI=1S/C22H36O5/c1-12(2)15-8-7-13(3)18-16-11-22(6,25)17(26-14(4)23)9-10-21(5,24)20(27-16)19(15)18/h7,12,15-20,24-25H,8-11H2,1-6H3
InChIKey QTCWWOOKJDGITI-UHFFFAOYSA-N
Mol Weight 380.5 g/mol
Molecular Formula C22H36O5
Exact Mass 380.256274 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FRVDICKEEgX
Name (1R(*),2R(*),3R(*),6S(*),7R(*),9R(*),10S(*),11Z,14R(*))-6-acetoxyeunicella-11-ene-3,7-diol
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 380.256274254 u
Formula C22H36O5
InChI InChI=1S/C22H36O5/c1-12(2)15-8-7-13(3)18-16-11-22(6,25)17(26-14(4)23)9-10-21(5,24)20(27-16)19(15)18/h7,12,15-20,24-25H,8-11H2,1-6H3
InChIKey QTCWWOOKJDGITI-UHFFFAOYSA-N
Molecular Weight 380.525 g/mol
SMILES C=1CC(C2C(C1C)C1CC(C(CCC(C2O1)(O)C)OC(=O)C)(O)C)C(C)C