Lamalbid

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Systematic / IUPAC Name: Methyl (1S,4aS,5S,6S,7R,7aS)-1-(β-D-glucopyranosyloxy)-5,6,7-trihydroxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate

ID: Reference8172

Other Names: Cyclopenta[c]pyran-4-carboxylic acid, 1-(β-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-5,6,7-trihydroxy-7-methyl-, methyl ester, (1S,4aS,5S,6S,7R,7aS)-

Formula: C17H26O12

Spectral Data

Lamalbid 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 1
No. of Spectra 155
Tandem Spectra MS1, MS2
Ionization Methods NSI
Analyzers FT
Last Modification 8/23/2018 10:37:20 AM
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Identificators

InChI InChI=1S/C17H26O12/c1-17(25)8-7(10(20)13(17)23)5(14(24)26-2)4-27-15(8)29-16-12(22)11(21)9(19)6(3-18)28-16/h4,6-13,15-16,18-23,25H,3H2,1-2H3/t6-,7-,8-,9-,10+,11+,12-,13+,15+,16+,17-/m1/s1
InChI Key HHDWDLBSGSYIQQ-GNDDPXJISA-N
Canonical SMILES CC1(C2C(C(C1O)O)C(=COC2OC3C(C(C(C(O3)CO)O)O)O)C(=O)OC)O
CAS 52212870
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Other Names Cyclopenta[c]pyran-4-carboxylic acid, 1-(β-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-5,6,7-trihydroxy-7-methyl-, methyl ester, (1S,4aS,5S,6S,7R,7aS)-

In Other Databases

ChEMBL CHEMBL1079619
ChemSpider 10272896
PubChem 21637592