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(3aS,4R,5R,7R,7aR)-7-(Hydroxymethyl)-2,2-dimethyl-perhydro-1,3-benzodioxole-4,5-diol
SpectraBase Compound ID 1hDTPBs83pi
InChI InChI=1S/C10H18O5/c1-10(2)14-8-5(4-11)3-6(12)7(13)9(8)15-10/h5-9,11-13H,3-4H2,1-2H3/t5-,6-,7-,8-,9+/m1/s1
InChIKey KGGUABRJBGQVQU-OKNNCHMLSA-N
Mol Weight 218.25 g/mol
Molecular Formula C10H18O5
Exact Mass 218.115424 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1ESsARiJH6
Name (3aS,4R,5R,7R,7aR)-7-(Hydroxymethyl)-2,2-dimethyl-perhydro-1,3-benzodioxole-4,5-diol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H18O5
InChI InChI=1S/C10H18O5/c1-10(2)14-8-5(4-11)3-6(12)7(13)9(8)15-10/h5-9,11-13H,3-4H2,1-2H3/t5-,6-,7-,8-,9+/m1/s1
InChIKey KGGUABRJBGQVQU-OKNNCHMLSA-N
Molecular Weight 218.249 g/mol
SMILES OC[C@@]1([C@@]2([C@]([C@@]([C@@](C1)(O)[H])(O)[H])(OC(O2)(C)C)[H])[H])[H]
SPLASH splash10-056u-9110000000-42c2a562dd9223dd7df6
Source of Spectrum F5-3-1958-12
Synonyms (3aS,4R,5R,7R,7aR)-7-(hydroxymethyl)-2,2-dimethylhexahydrobenzo[d][1,3]dioxole-4,5-diol
Wiley ID 1732343