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(4aR,5S,6R,7R,8R,8aR)-4-acetyl-5,7-dibenzoxy-8-hydroxy-6-methyl-4a,5,6,7,8,8a-hexahydro-1H-naphthalen-2-one
SpectraBase Compound ID Mlx29Du0wx
InChI InChI=1S/C27H30O5/c1-17-26(31-15-19-9-5-3-6-10-19)24-22(18(2)28)13-21(29)14-23(24)25(30)27(17)32-16-20-11-7-4-8-12-20/h3-13,17,23-27,30H,14-16H2,1-2H3/t17-,23-,24+,25-,26-,27-/m1/s1
InChIKey QSHUUNGRDCMVBP-VOUNDPKQSA-N
Mol Weight 434.53 g/mol
Molecular Formula C27H30O5
Exact Mass 434.209324 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3yTWyLKamAa
Name (4aR,5S,6R,7R,8R,8aR)-4-acetyl-5,7-dibenzoxy-8-hydroxy-6-methyl-4a,5,6,7,8,8a-hexahydro-1H-naphthalen-2-one
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Formula C27H30O5
InChI InChI=1S/C27H30O5/c1-17-26(31-15-19-9-5-3-6-10-19)24-22(18(2)28)13-21(29)14-23(24)25(30)27(17)32-16-20-11-7-4-8-12-20/h3-13,17,23-27,30H,14-16H2,1-2H3/t17-,23-,24+,25-,26-,27-/m1/s1
InChIKey QSHUUNGRDCMVBP-VOUNDPKQSA-N
Molecular Weight 434.532 g/mol
SMILES O[C@]1([C@](OCc2ccccc2)([C@@]([C@]([C@]2(C(=CC(C[C@@]12[H])=O)C(=O)C)[H])(OCc1ccccc1)[H])(C)[H])[H])[H]
SPLASH splash10-0006-9222000000-3f621779cb93c97ae37a
Source of Spectrum F-53-3093-24
Synonyms (4aR,5S,6R,7R,8R,8aR)-4-acetyl-5,7-dibenzyloxy-8-hydroxy-6-methyl-4a,5,6,7,8,8a-hexahydro-1H-naphthalen-2-one (4aR,5S,6R,7R,8R,8aR)-4-acetyl-8-hydroxy-6-methyl-5,7-bis(phenylmethoxy)-4a,5,6,7,8,8a-hexahydro-1H-naphthalen-2-one (4aR,5S,6R,7R,8R,8aR)-4-ethanoyl-6-methyl-8-oxidanyl-5,7-bis(phenylmethoxy)-4a,5,6,7,8,8a-hexahydro-1H-naphthalen-2-one
Wiley ID 800777