3-Buten-2-one, 4-[(2R,4S)-4-[(6-O-D-apio-beta-D-furanosyl-beta-D-glucopyranosyl)oxy]-2-hydroxy-2,6,6-trimethylcyclohexylidene]-, (3R)-

Base Information

• Chemical Name: 3-Buten-2-one, 4-[(2R,4S)-4-[(6-O-D-apio-beta-D-furanosyl-beta-D-glucopyranosyl)oxy]-2-hydroxy-2,6,6-trimethylcyclohexylidene]-, (3R)-
• CAS No.: 108567-70-0
• Molecular Formula: C₂₄H₃₈O₁₂
• Molecular Weight: 518.559
• DSSTox Substance ID: DTXSID101104018
• Wikidata: Q105304461

Synonyms:3-Buten-2-one, 4-[(2R,4S)-4-[(6-O-D-apio-beta-D-furanosyl-beta-D-glucopyranosyl)oxy]-2-hydroxy-2,6,6-trimethylcyclohexylidene]-, (3R)-;CHEBI:169143;DTXSID101104018;(3R)-4-[(2R,4S)-4-[(6-O-D-Apio-beta-D-furanosyl-beta-D-glucopyranosyl)oxy]-2-hydroxy-2,6,6-trimethylcyclohexylidene]-3-buten-2-one

Chemical Property of 3-Buten-2-one, 4-[(2R,4S)-4-[(6-O-D-apio-beta-D-furanosyl-beta-D-glucopyranosyl)oxy]-2-hydroxy-2,6,6-trimethylcyclohexylidene]-, (3R)-

Chemical Property:

• XLogP3: -3.4
• Hydrogen Bond Donor Count: 7
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 7
• Exact Mass: 518.23632664
• Heavy Atom Count: 36
• Complexity: 869

Purity/Quality:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)C=C=C1C(CC(CC1(C)O)OC2C(C(C(C(O2)COC3C(C(CO3)(CO)O)O)O)O)O)(C)C

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