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octyl 3-O-isobutyryl-.beta.-D-glucopyranoside
SpectraBase Compound ID GLVgiuwCgT7
InChI InChI=1S/C18H34O7/c1-4-5-6-7-8-9-10-23-18-15(21)16(25-17(22)12(2)3)14(20)13(11-19)24-18/h12-16,18-21H,4-11H2,1-3H3/t13-,14-,15-,16+,18-/m1/s1
InChIKey NZMOHQUQXIKXPZ-MAPUTHEBSA-N
Mol Weight 362.5 g/mol
Molecular Formula C18H34O7
Exact Mass 362.230453 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1UxhCE9C8pT
Name octyl 3-O-isobutyryl-.beta.-D-glucopyranoside
Appearance Colorless oil
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Formula C18H34O7
InChI InChI=1S/C18H34O7/c1-4-5-6-7-8-9-10-23-18-15(21)16(25-17(22)12(2)3)14(20)13(11-19)24-18/h12-16,18-21H,4-11H2,1-3H3/t13-,14-,15-,16+,18-/m1/s1
InChIKey NZMOHQUQXIKXPZ-MAPUTHEBSA-N
Ionization Type EI
Optical Rotation [a]D21 = -1.8 (c = 1.00, CHCl3)
Reported Formula C18H34O7
SMILES O[C@@]1([C@]([C@@]([C@@](CO)(O[C@]1(OCCCCCCCC)[H])[H])(O)[H])(OC(=O)C(C)C)[H])[H]
SPLASH splash10-001j-0891000000-810f4f101140302b3da8
Source of Spectrum JP5342163B2
Wiley ID 1852396