Sphaeranthanolide

Base Information

• Chemical Name: Sphaeranthanolide
• CAS No.: 129885-23-0
• Molecular Formula: C21H32 O9
• UNII: TE6O869VI1
• DSSTox Substance ID: DTXSID30156261
• Nikkaji Number: J341.587B
• Wikidata: Q27289922

Synonyms:Sphaeranthanolide;UNII-TE6O869VI1;TE6O869VI1;129885-23-0;DTXSID30156261;Naphtho(1,2-b)furan-2(3H)-one, 8-(beta-D-glucopyranosyloxy)-3a,4,5,5a,6,7,8,9b-octahydro-3a-hydroxy-3,5a,9-trimethyl-, (3R,3aR,5aR,8R,9bS)-;DTXCID4078752;Q27289922;NAPHTHO(1,2-B)FURAN-2(3H)-ONE, 8-(.BETA.-D-GLUCOPYRANOSYLOXY)-3A,4,5,5A,6,7,8,9B-OCTAHYDRO-3A-HYDROXY-3,5A,9-TRIMETHYL-, (3R,3AR,5AR,8R,9BS)-

Chemical Property of Sphaeranthanolide

Chemical Property:

• XLogP3: -1.1
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 3
• Exact Mass: 428.20463259
• Heavy Atom Count: 30
• Complexity: 738

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1C(=O)OC2C1(CCC3(C2=C(C(CC3)OC4C(C(C(C(O4)CO)O)O)O)C)C)O
• Isomeric SMILES: C[C@H]1C(=O)O[C@@H]2[C@]1(CC[C@@]3(C2=C([C@@H](CC3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)C)C)O

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