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Rhodiolin

View entire compound with spectra: 1 MS (GC)

Rhodiolin
SpectraBase Compound ID Kujp7XjGVNk
InChI InChI=1S/C25H20O10/c1-32-16-8-12(4-7-14(16)28)22-18(10-26)34-24-17(33-22)9-15(29)19-20(30)21(31)23(35-25(19)24)11-2-5-13(27)6-3-11/h2-9,18,22,26-29,31H,10H2,1H3/t18-,22-/m1/s1
InChIKey POVCYOFRCMBMKD-XMSQKQJNSA-N
Mol Weight 480.43 g/mol
Molecular Formula C25H20O10
Exact Mass 480.105647 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3pwSMhNPtI
Name Rhodiolin
Alternate Name(s) (2R,3R)-6,8-dihydroxy-3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-9-(4-hydroxyphenyl)-2,3-dihydropyrano[3,2-h][1,4]benzodioxin-7-one (2R,3R)-6,8-dihydroxy-3-(4-hydroxy-3-methoxy-phenyl)-2-(hydroxymethyl)-9-(4-hydroxyphenyl)-2,3-dihydropyrano[3,2-h][1,4]benzodioxin-7-one (2R,3R)-2-(hydroxymethyl)-9-(4-hydroxyphenyl)-3-(3-methoxy-4-oxidanyl-phenyl)-6,8-bis(oxidanyl)-2,3-dihydropyrano[3,2-h][1,4]benzodioxin-7-one
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Formula C25H20O10
InChI InChI=1S/C25H20O10/c1-32-16-8-12(4-7-14(16)28)22-18(10-26)34-24-17(33-22)9-15(29)19-20(30)21(31)23(35-25(19)24)11-2-5-13(27)6-3-11/h2-9,18,22,26-29,31H,10H2,1H3/t18-,22-/m1/s1
InChIKey POVCYOFRCMBMKD-XMSQKQJNSA-N
Molecular Weight 480.425 g/mol
SMILES OC[C@]1(Oc2c3c(C(C(=C(O3)c3ccc(cc3)O)O)=O)c(cc2O[C@@]1(c1cc(OC)c(cc1)O)[H])O)[H]
SPLASH splash10-0uki-0903000000-18fd41cb88c4872d21ec
Source of Spectrum X4-19-27-0
Wiley ID 1585594