25-O-Methylcimigenol-3-o-beta-D-xyloside

Base Information

• Chemical Name: 25-O-Methylcimigenol-3-o-beta-D-xyloside
• CAS No.: 27994-13-4
• Molecular Formula: C36H58O9
• Molecular Weight: 634.8
• UNII: W8WIS748XQ
• Wikidata: Q27292475
• Mol file: 27994-13-4.mol

Synonyms:27994-13-4;25-O-Methylcimigenol-3-o-beta-D-xyloside;UNII-W8WIS748XQ;W8WIS748XQ;25-O-methylcimigenol-3-O-beta-D-xylopyranoside;25-O-Methylcimigenol-3-O-D-xylopyranoside;25-O-Methylcimigenol-3-o-beta-D-xyloside (24S) (constituent of Black cohosh) [DSC];(2S,3R,4S,5R)-2-[[(1S,2R,3S,4R,7R,9S,12R,14S,17R,18R,19R,21R,22S)-2-hydroxy-22-(2-methoxypropan-2-yl)-3,8,8,17,19-pentamethyl-23,24-dioxaheptacyclo[19.2.1.01,18.03,17.04,14.07,12.012,14]tetracosan-9-yl]oxy]oxane-3,4,5-triol;beta-D-Xylopyranoside, (3beta,15alpha,16alpha,23R,24S)-16,23:16,24-diepoxy-15-hydroxy-25-methoxy-9,19-cyclolanostan-3-yl;HY-N8683;AKOS040761037;FS-7710;CS-0148912;25-O-METHYLCIMIGENOL-3-O-.BETA.-D-XYLOSIDE;Q27292475;.BETA.-D-XYLOPYRANOSIDE, (3.BETA.,15.ALPHA.,16.ALPHA.,23R,24S)-16,23:16,24-DIEPOXY-15-HYDROXY-25-METHOXY-9,19-CYCLOLANOSTAN-3-YL;25-O-METHYLCIMIGENOL-3-O-.BETA.-D-XYLOSIDE (24S) (CONSTITUENT OF BLACK COHOSH) [DSC]

Chemical Property of 25-O-Methylcimigenol-3-o-beta-D-xyloside

Chemical Property:

• XLogP3: 4.2
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 4
• Exact Mass: 634.40808342
• Heavy Atom Count: 45
• Complexity: 1220

Purity/Quality:

99%+, ^*data from raw suppliers

25-O-methylcimigenol-3-O-beta-D-xylopyranoside ≥98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1CC2C(OC3(C1C4(CCC56CC57CCC(C(C7CCC6C4(C3O)C)(C)C)OC8C(C(C(CO8)O)O)O)C)O2)C(C)(C)OC
• Isomeric SMILES: C[C@@H]1C[C@@H]2[C@H](O[C@]3([C@H]1[C@]4(CC[C@@]56C[C@@]57CC[C@@H](C([C@@H]7CC[C@H]6[C@@]4([C@H]3O)C)(C)C)O[C@H]8[C@@H]([C@H]([C@@H](CO8)O)O)O)C)O2)C(C)(C)OC