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5-Benzyl 8a-Methyl 2-methoxy-4-methyl-6-oxo-4b,5,9,10-tetrahydrophenanthrene-5,8a(6H)-dicarboxylate

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5-Benzyl 8a-Methyl 2-methoxy-4-methyl-6-oxo-4b,5,9,10-tetrahydrophenanthrene-5,8a(6H)-dicarboxylate
SpectraBase Compound ID KeNLaxKD82m
InChI InChI=1S/C26H26O6/c1-16-13-19(30-2)14-18-9-11-26(25(29)31-3)12-10-20(27)22(23(26)21(16)18)24(28)32-15-17-7-5-4-6-8-17/h4-8,10,12-14,22-23H,9,11,15H2,1-3H3/t22-,23+,26+/m0/s1
InChIKey MTPKGVRHXPFOCW-PPJWLVRDSA-N
Mol Weight 434.49 g/mol
Molecular Formula C26H26O6
Exact Mass 434.172939 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GSYAnuyWmND
Name 5-Benzyl 8A-methyl 2-methoxy-4-methyl-6-oxo-4B,5,9,10-tetrahydrophenanthrene-5,8A(6H)-dicarboxylate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 434.172938551 u
Formula C26H26O6
InChI InChI=1S/C26H26O6/c1-16-13-19(30-2)14-18-9-11-26(25(29)31-3)12-10-20(27)22(23(26)21(16)18)24(28)32-15-17-7-5-4-6-8-17/h4-8,10,12-14,22-23H,9,11,15H2,1-3H3/t22-,23+,26+/m0/s1
InChIKey MTPKGVRHXPFOCW-PPJWLVRDSA-N
Molecular Weight 434.488 g/mol
SMILES [C@]12([C@@]([C@](C(OCC=3C=CC=CC3)=O)([H])C(C=C1)=O)(C1=C(C=C(C=C1CC2)OC)C)[H])C(=O)OC