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Dihydro-clusin - diacetate
SpectraBase Compound ID EG2XcgREGyI
InChI InChI=1S/C26H32O9/c1-16(27)32-13-20(8-18-6-7-22-23(10-18)35-15-34-22)21(14-33-17(2)28)9-19-11-24(29-3)26(31-5)25(12-19)30-4/h6-7,10-12,20-21H,8-9,13-15H2,1-5H3/t20-,21-/m0/s1
InChIKey PGLVKIQODAEYPR-SFTDATJTSA-N
Mol Weight 488.5 g/mol
Molecular Formula C26H32O9
Exact Mass 488.204633 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AqxfuzYqqlI
Name Dihydro-clusin - diacetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H32O9
InChI InChI=1S/C26H32O9/c1-16(27)32-13-20(8-18-6-7-22-23(10-18)35-15-34-22)21(14-33-17(2)28)9-19-11-24(29-3)26(31-5)25(12-19)30-4/h6-7,10-12,20-21H,8-9,13-15H2,1-5H3/t20-,21-/m0/s1
InChIKey PGLVKIQODAEYPR-SFTDATJTSA-N
Molecular Weight 488.533 g/mol
SMILES c1(c(cc(cc1OC)C[C@]([C@@](Cc1cc2OCOc2cc1)(COC(=O)C)[H])(COC(=O)C)[H])OC)OC
SPLASH splash10-000i-4500900000-3fe2d23b4ecf7adcae8d
Source of Spectrum G4-61-228-2
Synonyms Acetic acid [(2R,3R)-3-(acetyloxymethyl)-2-(1,3-benzodioxol-5-ylmethyl)-4-(3,4,5-trimethoxyphenyl)butyl] ester [(2R,3R)-3-(acetyloxymethyl)-2-(1,3-benzodioxol-5-ylmethyl)-4-(3,4,5-trimethoxyphenyl)butyl] acetate [(2R,3R)-3-(acetoxymethyl)-2-(1,3-benzodioxol-5-ylmethyl)-4-(3,4,5-trimethoxyphenyl)butyl] acetate [(2R,3R)-3-(acetyloxymethyl)-2-(1,3-benzodioxol-5-ylmethyl)-4-(3,4,5-trimethoxyphenyl)butyl] ethanoate
Wiley ID 1607118