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(6S,7R,7aS)-7-(2-Formyl-4-hydroxy-5-methoxyphenyl)-2,3,5,6,7,7a-hexahydro-1-methyl-1H-indol-6-yl Acetate
SpectraBase Compound ID CUDh5r4HkXZ
InChI InChI=1S/C19H23NO5/c1-11(22)25-16-5-4-12-6-7-20(2)19(12)18(16)14-9-17(24-3)15(23)8-13(14)10-21/h4,8-10,16,18-19,23H,5-7H2,1-3H3/t16-,18-,19+/m0/s1
InChIKey DBJGGXUMROGYSR-YTQUADARSA-N
Mol Weight 345.4 g/mol
Molecular Formula C19H23NO5
Exact Mass 345.157623 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BHoz0SSXeIi
Name (6S,7R,7aS)-7-(2-Formyl-4-hydroxy-5-methoxyphenyl)-2,3,5,6,7,7a-hexahydro-1-methyl-1H-indol-6-yl Acetate
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Formula C19H23NO5
InChI InChI=1S/C19H23NO5/c1-11(22)25-16-5-4-12-6-7-20(2)19(12)18(16)14-9-17(24-3)15(23)8-13(14)10-21/h4,8-10,16,18-19,23H,5-7H2,1-3H3/t16-,18-,19+/m0/s1
InChIKey DBJGGXUMROGYSR-YTQUADARSA-N
Literature Reference DOI 10.1002/hlca.201500188
Molecular Weight 345.395 g/mol
SMILES Oc1c(cc(c(c1)C=O)[C@@]1([C@]2(C(=CC[C@@]1(OC(=O)C)[H])CCN2C)[H])[H])OC
SPLASH splash10-0a4i-0900000000-a23b3e8254955de4ea92
Source of Spectrum H-99-144-2
Synonyms Papiline (6S,7R,7aS)-7-(2-formyl-4-hydroxy-5-methoxyphenyl)-1-methyl-2,3,5,6,7,7a-hexahydro-1H-indol-6-yl acetate
Wiley ID 1797652