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1,2-Di-O-hexyl-scyllo-inositol
SpectraBase Compound ID IflFAf1jAuU
InChI InChI=1S/C18H36O6/c1-3-5-7-9-11-23-17-15(21)13(19)14(20)16(22)18(17)24-12-10-8-6-4-2/h13-22H,3-12H2,1-2H3/t13-,14-,15+,16+,17-,18-/m1/s1
InChIKey SOHSLTLBFIOXDV-GVLSGGHMSA-N
Mol Weight 348.5 g/mol
Molecular Formula C18H36O6
Exact Mass 348.251189 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2dIsC0kOZmA
Name 1,2-Di-O-hexyl-scyllo-inositol
CAS Registry Number 135096-75-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H36O6
InChI InChI=1S/C18H36O6/c1-3-5-7-9-11-23-17-15(21)13(19)14(20)16(22)18(17)24-12-10-8-6-4-2/h13-22H,3-12H2,1-2H3/t13-,14-,15+,16+,17-,18-/m1/s1
InChIKey SOHSLTLBFIOXDV-GVLSGGHMSA-N
Molecular Weight 348.480 g/mol
SMILES O[C@]1([C@@]([C@]([C@@]([C@]([C@@]1(OCCCCCC)[H])(OCCCCCC)[H])(O)[H])(O)[H])(O)[H])[H]
SPLASH splash10-0ai9-9400000000-671311d8b00e55d7d735
Source of Spectrum K-124-2277-20
Synonyms (1S,2R,3R,4S,5R,6R)-5,6-bis(hexyloxy)-1,2,3,4-cyclohexanetetrol
Wiley ID 1340546