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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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CS0thvyCIV4
Name 5-Benzyl 8a-Methyl 2-methoxy-4-methyl-6-oxo-4b,5,9,10-tetrahydrophenanthrene-5,8a(6H)-dicarboxylate
Alternate Name(s) (4R,4aS,10aR)-7-Methoxy-5-methyl-3-oxo-4,4a,9,10-tetrahydro-3H-phenanthrene-4,10a-dicarboxylic acid 4-benzyl ester 10a-methyl ester 4-Benzyl 10a-methyl 7-methoxy-5-methyl-3-oxo-4,4a,9,10-tetrahydro-4,10a(3H)-phenanthrenedicarboxylate
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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(OCc3ccccc3)=O)([H])C(C=C1)=O)(c1c(cc(cc1CC2)OC)C)[H])C(=O)OC
SPLASH splash10-00kg-3491200000-9af232e1659c6bc2758d
Source of Spectrum B-52-1103-24
Wiley ID 746846