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Methyl 1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydro-1,4a,7-trimethyl-7-[3'-formylpropanoyl]-1-phenanthrenecarboxylate

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Methyl 1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydro-1,4a,7-trimethyl-7-[3'-formylpropanoyl]-1-phenanthrenecarboxylate
SpectraBase Compound ID JLryeURsWGt
InChI InChI=1S/C23H34O4/c1-21(19(25)7-5-14-24)13-10-17-16(15-21)8-9-18-22(17,2)11-6-12-23(18,3)20(26)27-4/h14-15,17-18H,5-13H2,1-4H3
InChIKey HOPUUUVQIJEUNH-UHFFFAOYSA-N
Mol Weight 374.5 g/mol
Molecular Formula C23H34O4
Exact Mass 374.24571 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2uA3wdmsASr
Name Methyl 1,2,3,4,4A,4B,5,6,7,9,10,10A-dodecahydro-1,4A,7-trimethyl-7-[3'-formylpropanoyl]-1-phenanthrenecarboxylate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 374.245709571 u
Formula C23H34O4
InChI InChI=1S/C23H34O4/c1-21(19(25)7-5-14-24)13-10-17-16(15-21)8-9-18-22(17,2)11-6-12-23(18,3)20(26)27-4/h14-15,17-18H,5-13H2,1-4H3
InChIKey HOPUUUVQIJEUNH-UHFFFAOYSA-N
Molecular Weight 374.521 g/mol
SMILES C12(C(C(C(=O)OC)(C)CCC2)CCC=2C1CCC(C(=O)CCC=O)(C)C2)C