(6,6-Dimethylbicyclo[3.1.1]hept-2-yl)methyl 6-O-[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-β-D-glucopyranoside

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Systematic / IUPAC Name: (6,6-Dimethylbicyclo[3.1.1]hept-2-yl)methyl 6-O-[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-β-D-glucopyranoside

ID: Reference7458

Other Names: β-D-Glucopyranoside, (6,6-dimethylbicyclo[3.1.1]hept-2-yl)methyl 6-O-[(2R,3R,4R)-tetrahydro-3,4-dihydroxy-4-(hydroxymethyl)-2-furanyl]-;
(2R,3S,4S,5R,6R)-2-({[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-6-({6,6-dimethylbicyclo[3.1.1]heptan-2-yl}methoxy)oxane-3,4,5-triol

Formula: C21H36O10

Spectral Data

(6,6-Dimethylbicyclo[3.1.1]hept-2-yl)methyl 6-O-[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-β-D-glucopyranoside mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Orbitrap Fusion Lumos with ETD LBP
No. of Spectral Trees 2
No. of Spectra 926
Tandem Spectra MS1, MS2, MS3
Ionization Methods NSI
Analyzers FT
Last Modification 2/23/2018 8:54:34 AM
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Identificators

InChI InChI=1S/C21H36O10/c1-20(2)11-4-3-10(12(20)5-11)6-28-18-16(25)15(24)14(23)13(31-18)7-29-19-17(26)21(27,8-22)9-30-19/h10-19,22-27H,3-9H2,1-2H3/t10?,11?,12?,13-,14-,15+,16-,17+,18-,19-,21-/m1/s1
InChI Key RSKTWDAINBIMPD-MCVCZSGFSA-N
Canonical SMILES CC1(C2CCC(C1C2)COC3C(C(C(C(O3)COC4C(C(CO4)(CO)O)O)O)O)O)C
CAS
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Other Names β-D-Glucopyranoside, (6,6-dimethylbicyclo[3.1.1]hept-2-yl)methyl 6-O-[(2R,3R,4R)-tetrahydro-3,4-dihydroxy-4-(hydroxymethyl)-2-furanyl]-;
(2R,3S,4S,5R,6R)-2-({[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-6-({6,6-dimethylbicyclo[3.1.1]heptan-2-yl}methoxy)oxane-3,4,5-triol

In Other Databases

ChemSpider 29814780
PubChem 60208841