Schleicheol 1

Base Information

• Chemical Name: Schleicheol 1
• CAS No.: 256445-66-6
• Molecular Formula: C30H52O2
• Molecular Weight: 444.73268
• DSSTox Substance ID: DTXSID201294183
• Nikkaji Number: J1.247.211K
• Wikidata: Q105152619
• Mol file: 256445-66-6.mol

Synonyms:SCHLEICHEOL 1;256445-66-6;(3S,7R,8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-7-methoxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol;DTXSID201294183;HY-N1249;AKOS040762311;FS-9326;CS-0016652;(3beta,7beta)-7-Methoxystigmast-5-en-3-ol

Chemical Property of Schleicheol 1

Chemical Property:

• Melting Point: 82-88 °C
• Boiling Point: 525.8±38.0 °C(Predicted)
• PKA: 14.90±0.70(Predicted)
• PSA: 29.46000
• Density: 0.99±0.1 g/cm3(Predicted)
• LogP: 7.64970
• XLogP3: 8.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 7
• Exact Mass: 444.396730897
• Heavy Atom Count: 32
• Complexity: 682

Purity/Quality:

99%+, ^*data from raw suppliers

Schleicheol1 ≥98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(CCC(C)C1CCC2C1(CCC3C2C(C=C4C3(CCC(C4)O)C)OC)C)C(C)C
• Isomeric SMILES: CC[C@H](CC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@H](C=C4[C@@]3(CC[C@@H](C4)O)C)OC)C)C(C)C