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Isotachioside pentaacetate

View entire compound with spectra: 1 MS (GC)

Isotachioside pentaacetate
SpectraBase Compound ID E30AvL4LkxD
InChI InChI=1S/C23H28O13/c1-11(24)31-16-7-8-17(18(9-16)29-6)30-10-19-20(32-12(2)25)21(33-13(3)26)22(34-14(4)27)23(36-19)35-15(5)28/h7-9,19-23H,10H2,1-6H3/t19-,20-,21+,22-,23-/m1/s1
InChIKey GECLIYWPKZDEFQ-XNBWIAOKSA-N
Mol Weight 512.46 g/mol
Molecular Formula C23H28O13
Exact Mass 512.152991 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DubI2GMknqO
Name Isotachioside pentaacetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H28O13
InChI InChI=1S/C23H28O13/c1-11(24)31-16-7-8-17(18(9-16)29-6)30-10-19-20(32-12(2)25)21(33-13(3)26)22(34-14(4)27)23(36-19)35-15(5)28/h7-9,19-23H,10H2,1-6H3/t19-,20-,21+,22-,23-/m1/s1
InChIKey GECLIYWPKZDEFQ-XNBWIAOKSA-N
Molecular Weight 512.464 g/mol
SMILES [C@@]1([C@]([C@](OC(=O)C)([C@](O[C@]1(OC(=O)C)[H])(COc1c(cc(cc1)OC(=O)C)OC)[H])[H])(OC(=O)C)[H])(OC(=O)C)[H]
SPLASH splash10-069u-0902000000-20e7e613e43f16467644
Source of Spectrum QA-44-382-21
Wiley ID 862525