Hispidol B

Base Information

• Chemical Name: Hispidol B
• CAS No.: 78739-39-6
• Molecular Formula: C30H52 O4
• ChEMBL ID: CHEMBL2386312
• DSSTox Substance ID: DTXSID401318432
• Metabolomics Workbench ID: 128682
• Nikkaji Number: J657.669I
• Wikidata: Q104397563
• Mol file: 78739-39-6.mol

Synonyms:Hispidol B;78739-39-6;SCHEMBL564483;CHEMBL2386312;DTXSID401318432;(3S,4R,6S)-6-[(3S,5R,9R,10R,13S,14S,17S)-3-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylheptane-2,3,4-triol

Chemical Property of Hispidol B

Chemical Property:

• XLogP3: 5.8
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 476.38656014
• Heavy Atom Count: 34
• Complexity: 817

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(CC(C(C(C)(C)O)O)O)C1CCC2(C1(CCC3C2=CCC4C3(CCC(C4(C)C)O)C)C)C
• Isomeric SMILES: C[C@@H](C[C@H]([C@@H](C(C)(C)O)O)O)[C@@H]1CC[C@]2([C@]1(CC[C@H]3C2=CC[C@@H]4[C@@]3(CC[C@@H](C4(C)C)O)C)C)C