6-O-Pentopyranosyl-1-O-[(2,6,6-trimethyl-1-cyclohexen-1-yl)carbonyl]-β-D-glucopyranose

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Systematic / IUPAC Name: [(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-[(3,4,5-trihydroxyoxan-2-yl)oxymethyl]oxan-2-yl] 2,6,6-trimethylcyclohexene-1-carboxylate

ID: Reference7872

Other Names: β-D-Glucopyranose, 6-O-pentopyranosyl-1-O-[(2,6,6-trimethyl-1-cyclohexen-1-yl)carbonyl]-

Formula: C21H34O11

Spectral Data

6-O-Pentopyranosyl-1-O-[(2,6,6-trimethyl-1-cyclohexen-1-yl)carbonyl]-β-D-glucopyranose 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 FAIMS
No. of Spectral Trees 2
No. of Spectra 1399
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 5/1/2018 11:48:34 AM
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Identificators

InChI InChI=1S/C21H34O11/c1-9-5-4-6-21(2,3)12(9)18(28)32-20-17(27)15(25)14(24)11(31-20)8-30-19-16(26)13(23)10(22)7-29-19/h10-11,13-17,19-20,22-27H,4-8H2,1-3H3/t10?,11-,13?,14-,15+,16?,17-,19?,20+/m1/s1
InChI Key JGMROMZJBQKIDK-RHDZYIEMSA-N
Canonical SMILES CC1=C(C(CCC1)(C)C)C(=O)OC2C(C(C(C(O2)COC3C(C(C(CO3)O)O)O)O)O)O
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Other Names β-D-Glucopyranose, 6-O-pentopyranosyl-1-O-[(2,6,6-trimethyl-1-cyclohexen-1-yl)carbonyl]-

In Other Databases

ChemSpider 29814286
PubChem 45783015