For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
Tremuloidin, tetraacetate
SpectraBase Compound ID 9rFGBM1yVq7
InChI InChI=1S/C28H30O12/c1-16(29)34-14-21-12-8-9-13-22(21)38-28-26(40-27(33)20-10-6-5-7-11-20)25(37-19(4)32)24(36-18(3)31)23(39-28)15-35-17(2)30/h5-13,23-26,28H,14-15H2,1-4H3
InChIKey ZNRCPWOJCJKPQU-UHFFFAOYSA-N
Mol Weight 558.54 g/mol
Molecular Formula C28H30O12
Exact Mass 558.173726 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID H9g1uSbwuCe
Name Tremuloidin, tetraacetate
Alternate Name(s) 2-[(3,4,6-Tri-O-acetyl-2-O-benzoylhexopyranosyl)oxy]benzyl acetate Benzoic acid [4,5-diacetyloxy-6-(acetyloxymethyl)-2-[2-(acetyloxymethyl)phenoxy]-3-oxanyl] ester Tremuloidin tetraacetate [4,5-diacetoxy-6-(acetoxymethyl)-2-[2-(acetoxymethyl)phenoxy]tetrahydropyran-3-yl] benzoate [4,5-diacetyloxy-6-(acetyloxymethyl)-2-[2-(acetyloxymethyl)phenoxy]oxan-3-yl] benzoate 2-(acetoxymethyl)-6-(2-(acetoxymethyl)phenoxy)-5-(benzoyloxy)tetrahydro-2H-pyran-3,4-diyl diacetate
CAS Registry Number 18449-66-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H30O12
InChI InChI=1S/C28H30O12/c1-16(29)34-14-21-12-8-9-13-22(21)38-28-26(40-27(33)20-10-6-5-7-11-20)25(37-19(4)32)24(36-18(3)31)23(39-28)15-35-17(2)30/h5-13,23-26,28H,14-15H2,1-4H3
InChIKey ZNRCPWOJCJKPQU-UHFFFAOYSA-N
Molecular Weight 558.536 g/mol
SMILES C1(C(C(OC(=O)C)C(OC1Oc1c(COC(=O)C)cccc1)COC(=O)C)OC(=O)C)OC(=O)c1ccccc1
SPLASH splash10-0a4i-3900000000-959eed2d7a5e99ffabd9
Source of Spectrum JX-2015-6-6909
Wiley ID 1729513