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(1S,4aR,8aR)-8-[(E)-3-(3-furanyl)-1-oxoprop-2-enyl]-1,4a,7,8a-tetramethyl-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthrene-1-carboxylic acid methyl ester

View entire compound with spectra: 1 NMR, and 1 MS (GC)

(1S,4aR,8aR)-8-[(E)-3-(3-furanyl)-1-oxoprop-2-enyl]-1,4a,7,8a-tetramethyl-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthrene-1-carboxylic acid methyl ester
SpectraBase Compound ID G5uoYufOSSl
InChI InChI=1S/C27H36O4/c1-18-7-10-21-25(2)13-6-14-27(4,24(29)30-5)22(25)11-15-26(21,3)23(18)20(28)9-8-19-12-16-31-17-19/h8-9,12,16-17,21-22H,6-7,10-11,13-15H2,1-5H3/b9-8+/t21?,22?,25-,26-,27+/m1/s1
InChIKey YQKFQMHABFTTDE-QZKNWPQZSA-N
Mol Weight 424.6 g/mol
Molecular Formula C27H36O4
Exact Mass 424.26136 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2IvSOM4d9AR
Name (1S,4ar,8ar)-8-[(E)-3-(3-Furanyl)-1-oxoprop-2-enyl]-1,4A,7,8A-tetramethyl-3,4,4B,5,6,9,10,10A-octahydro-2H-phenanthrene-1-carboxylic acid methyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 424.261359635 u
Formula C27H36O4
InChI InChI=1S/C27H36O4/c1-18-7-10-21-25(2)13-6-14-27(4,24(29)30-5)22(25)11-15-26(21,3)23(18)20(28)9-8-19-12-16-31-17-19/h8-9,12,16-17,21-22H,6-7,10-11,13-15H2,1-5H3/b9-8+/t21?,22?,25-,26-,27+/m1/s1
InChIKey YQKFQMHABFTTDE-QZKNWPQZSA-N
Molecular Weight 424.581 g/mol
SMILES [C@@]12(C(=C(C)CCC1[C@]1(CCC[C@@](C1CC2)(C(=O)OC)C)C)C(\C=C\C1=COC=C1)=O)C