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(7S,9R,10S,12E)-4-Methoxy-7-(2-hydroxyethyl)-9-methoxymethyl-10-methyl-7,8,9,10,11,14-hexahydro-6-oxabenzocyclodecen-5-one

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(7S,9R,10S,12E)-4-Methoxy-7-(2-hydroxyethyl)-9-methoxymethyl-10-methyl-7,8,9,10,11,14-hexahydro-6-oxabenzocyclodecen-5-one
SpectraBase Compound ID 2Q94fwpRbPY
InChI InChI=1S/C21H30O6/c1-15-7-4-5-8-16-9-6-10-18(25-3)20(16)21(23)27-17(11-12-22)13-19(15)26-14-24-2/h4-6,9-10,15,17,19,22H,7-8,11-14H2,1-3H3/b5-4+
InChIKey HCIWQUZQMRXJQX-SNAWJCMRSA-N
Mol Weight 378.47 g/mol
Molecular Formula C21H30O6
Exact Mass 378.204239 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 13OMnEhckwb
Name (7S,9R,10S,12E)-4-Methoxy-7-(2-hydroxyethyl)-9-methoxymethyl-10-methyl-7,8,9,10,11,14-hexahydro-6-oxabenzocyclodecen-5-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 378.204238680 u
Formula C21H30O6
InChI InChI=1S/C21H30O6/c1-15-7-4-5-8-16-9-6-10-18(25-3)20(16)21(23)27-17(11-12-22)13-19(15)26-14-24-2/h4-6,9-10,15,17,19,22H,7-8,11-14H2,1-3H3/b5-4+
InChIKey HCIWQUZQMRXJQX-SNAWJCMRSA-N
Molecular Weight 378.465 g/mol
SMILES C1(C2=C(OC)C=CC=C2C\C=C\CC(C(CC(O1)CCO)OCOC)C)=O