Musaroside

Base Information

• Chemical Name: Musaroside
• CAS No.: 465-97-4
• Molecular Formula: C30H44O10
• Molecular Weight: 564.6644
• DSSTox Substance ID: DTXSID30963598
• Wikidata: Q27107417
• Mol file: 465-97-4.mol

Synonyms:Musaroside;Sarmutogenin 3-O-beta-D-digitaloside;465-97-4;C08875;CHEBI:7029;DTXSID30963598;3-[(3S,5R,8R,9S,10S,12S,13S,14S,17R)-3-[(2R,3R,4S,5S,6R)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy-12,14-dihydroxy-10,13-dimethyl-11-oxo-2,3,4,5,6,7,8,9,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one;Q27107417;3-[(6-deoxy-3-o-methylhexopyranosyl)oxy]-12,14-dihydroxy-11-oxocard-20(22)-enolide

Chemical Property of Musaroside

Chemical Property:

• Vapor Pressure: 2.54E-27mmHg at 25°C
• Boiling Point: 769.3°Cat760mmHg
• Flash Point: 248.8°C
• PSA: 151.98000
• Density: 1.36g/cm³
• LogP: 1.26000
• XLogP3: 0.1
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 4
• Exact Mass: 564.29344760
• Heavy Atom Count: 40
• Complexity: 1080

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1C(C(C(C(O1)OC2CCC3(C(C2)CCC4C3C(=O)C(C5(C4(CCC5C6=CC(=O)OC6)O)C)O)C)O)OC)O
• Isomeric SMILES: C[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@H]2CC[C@]3([C@@H](C2)CC[C@@H]4[C@@H]3C(=O)[C@H]([C@]5([C@@]4(CC[C@@H]5C6=CC(=O)OC6)O)C)O)C)O)OC)O