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Rosiridin

View entire compound with spectra: 1 MS (GC)

Rosiridin
SpectraBase Compound ID 19LM6eKj49p
InChI InChI=1S/C16H28O7/c1-9(2)4-5-11(18)10(3)6-7-22-16-15(21)14(20)13(19)12(8-17)23-16/h4,6,11-21H,5,7-8H2,1-3H3/b10-6+/t11?,12-,13-,14+,15-,16-/m1/s1
InChIKey PBPYEEMQIFDGSQ-MIYBPCGNSA-N
Mol Weight 332.39 g/mol
Molecular Formula C16H28O7
Exact Mass 332.183503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3F9u65bKWHB
Name Rosiridin
Alternate Name(s) 2-[(2E)-3,7-dimethyl-4-oxidanyl-octa-2,6-dienoxy]-6-(hydroxymethyl)oxane-3,4,5-triol 2-[(2E)-4-hydroxy-3,7-dimethyl-octa-2,6-dienoxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol 2-[(2E)-4-hydroxy-3,7-dimethyl-octa-2,6-dienoxy]-6-methylol-tetrahydropyran-3,4,5-triol 2-[(2E)-4-hydroxy-3,7-dimethylocta-2,6-dienoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H28O7
InChI InChI=1S/C16H28O7/c1-9(2)4-5-11(18)10(3)6-7-22-16-15(21)14(20)13(19)12(8-17)23-16/h4,6,11-21H,5,7-8H2,1-3H3/b10-6+/t11?,12-,13-,14+,15-,16-/m1/s1
InChIKey PBPYEEMQIFDGSQ-MIYBPCGNSA-N
Molecular Weight 332.393 g/mol
SMILES O[C@]1([C@@]([C@]([C@@](O[C@@]1(CO)[H])(OC\C=C\(C(CC=C(C)C)O)C)[H])(O)[H])(O)[H])[H]
SPLASH splash10-00yi-9100000000-b0c9f4fe2fee5e085ccb
Source of Spectrum X4-21-596-0
Wiley ID 1585882