Antirrhinoside structure

Antirrhinoside

(2S,3R,4S,5S,6R)-2-[[(1S,2R,4S,5R,6S,10S)-5,6-dihydroxy-2-methyl-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-10-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

Also Known As: Antirrhinoside|Anthirrinoside|(2S,3R,4S,5S,6R)-2-[[(1S,2R,4S,5R,6S,10S)-5,6-dihydroxy-2-methyl-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-10-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol|(2S,3R,4S,5S,6R)-2-[[(1aR,1bS,2S,5aS,6R,6aS)-5a,6-dihydroxy-1a-methyl-1b,2,6,6a-tetrahydrooxireno[1,2]cyclopenta[4,5-b]pyran-2-yl]oxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol|(1aR,1bS,2S,5aS,6R,6aS)-5a,6-Dihydroxy-1a-methyl-1a,1b,2,5a,6,6a-hexahydrooxireno[4,5]cyclopenta[1,2-c]pyran-2-yl beta-D-glucopyranoside|(2S,3R,4S,5S,6R)-2-(((1aR,1bS,2S,5aS,6R,6aS)-5a,6-dihydroxy-1a-methyl-1b,2,6,6a-tetrahydrooxireno(1,2)cyclopenta(4,5-b)pyran-2-yl)oxy)-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol|(2S,3R,4S,5S,6R)-2-(((1S,2R,4S,5R,6S,10S)-5,6-dihydroxy-2-methyl-3,9-dioxatricyclo(4.4.0.02,4)dec-7-en-10-yl)oxy)-6-(hydroxymethyl)oxane-3,4,5-triol|(2S,3R,4S,5S,6R)-2-[[(1aR,1bS,2S,5aS,6R,6aS)-5a,6-dihydroxy-1a-methyl-1b,2,6,6a-tetrahydrooxireno[1,2]cyclopenta[4,5-b]pyran-2-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol|(2S,3R,4S,5S,6R)-2-{[(1S,2R,4S,5R,6S,10S)-5,6-dihydroxy-2-methyl-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-10-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol|[(1aR)-1a,1balpha,2,5a,6,6abeta-Hexahydro-5aalpha,6alpha-dihydroxy-1a-methyloxireno[4,5]cyclopenta[1,2-c]pyran-2alpha-yl]beta-D-glucopyranoside|[(1aR)-1a,1balpha,2,5a,6,6abeta-Hexahydro-5aalpha,6alpha-dihydroxy-1abeta-methyloxireno[4,5]cyclopenta[1,2-c]pyran-2alpha-yl]beta-D-glucopyranoside

CAS: 20770-65-4
Molecular Formula C15H22O10
Molecular Weight 362.1213 g/mol
LogP -3.2
Topological Polar Surface Area 162.0 Ų
Hydrogen Bond Donors 6
Hydrogen Bond Acceptors 10
Rotatable Bonds 3
Exact Mass 362.1213
Monoisotopic Mass 362.1213
Heavy Atoms 25
Complexity 571.0

Chemical Identifiers

CAS Number 20770-65-4
SMILES C[C@@]12[C@H]3[C@@H](OC=C[C@]3([C@@H]([C@@H]1O2)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O
InChIKey UBAIOTDKPLIEDD-RNCITLLOSA-N

Product Overview

Antirrhinoside (CAS 20770-65-4), with molecular formula C15H22O10 and molecular weight 362.1213 g/mol. IUPAC: (2S,3R,4S,5S,6R)-2-[[(1S,2R,4S,5R,6S,10S)-5,6-dihydroxy-2-methyl-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-10-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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