6-Deoxotyphasterol

Base Information

• Chemical Name: 6-Deoxotyphasterol
• CAS No.: 164034-47-3
• Molecular Formula: C₂₈H₅₀O₃
• Molecular Weight: 434.703
• DSSTox Substance ID: DTXSID1040954
• Metabolomics Workbench ID: 34789
• Nikkaji Number: J641.851A
• Wikidata: Q27109346

Synonyms:6-Deoxotyphasterol;5alpha-campestan-3alpha,22R,23R-triol;(3alpha,5alpha,22R,23R,24S)-ergostane-3,22,23-triol;(2S,3R,4R,5S)-2-[(3R,5S,8R,9S,10S,13S,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-5,6-dimethylheptane-3,4-diol;deoxotyphasterol;164034-47-3;SCHEMBL1517829;DTXSID1040954;CHEBI:20717;LMST01030126;Q27109346;(22R,23R,24S)-5alpha-ergostane-3alpha,22,23-triol

Chemical Property of 6-Deoxotyphasterol

Chemical Property:

• XLogP3: 7.3
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 434.37599545
• Heavy Atom Count: 31
• Complexity: 634

Purity/Quality:

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Useful:

• Canonical SMILES: CC(C)C(C)C(C(C(C)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)O)C)C)O)O
• Isomeric SMILES: C[C@@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CC[C@H](C4)O)C)C)[C@H]([C@@H]([C@@H](C)C(C)C)O)O

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