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Yatein
SpectraBase Compound ID ICAirq13KIZ
InChI InChI=1S/C22H24O7/c1-24-19-9-14(10-20(25-2)21(19)26-3)7-16-15(11-27-22(16)23)6-13-4-5-17-18(8-13)29-12-28-17/h4-5,8-10,15-16H,6-7,11-12H2,1-3H3/t15-,16+/m1/s1
InChIKey GMLDZDDTZKXJLU-CVEARBPZSA-N
Mol Weight 400.43 g/mol
Molecular Formula C22H24O7
Exact Mass 400.152203 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7bZ65piqnuP
Name (+)-Yatein
Alternate Name(s) (3S,4S)-4-(1,3-benzodioxol-5-ylmethyl)-3-[(3,4,5-trimethoxyphenyl)methyl]-2-oxolanone (3S,4S)-4-(1,3-benzodioxol-5-ylmethyl)-3-[(3,4,5-trimethoxyphenyl)methyl]tetrahydrofuran-2-one (3S,4S)-4-(1,3-benzodioxol-5-ylmethyl)-3-[(3,4,5-trimethoxyphenyl)methyl]oxolan-2-one
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Formula C22H24O7
InChI InChI=1S/C22H24O7/c1-24-19-9-14(10-20(25-2)21(19)26-3)7-16-15(11-27-22(16)23)6-13-4-5-17-18(8-13)29-12-28-17/h4-5,8-10,15-16H,6-7,11-12H2,1-3H3/t15-,16+/m1/s1
InChIKey GMLDZDDTZKXJLU-CVEARBPZSA-N
Molecular Weight 400.427 g/mol
SMILES C1([C@]([C@](Cc2cc3OCOc3cc2)(CO1)[H])(Cc1cc(OC)c(c(c1)OC)OC)[H])=O
SPLASH splash10-0ue9-0600900000-4ad68aa4b03fa0ee34af
Source of Spectrum SO-0-521-17
Wiley ID 879071