3-Dehydroteasterone

Base Information

• Chemical Name: 3-Dehydroteasterone
• CAS No.: 124853-28-7
• Molecular Formula: C₂₈H₄₆O₄
• Molecular Weight: 446.671
• DSSTox Substance ID: DTXSID2040943
• Metabolomics Workbench ID: 34794
• Nikkaji Number: J590.103K
• Wikidata: Q27109273
• Mol file: 124853-28-7.mol

Synonyms:3-Dehydroteasterone;3,6-dioxo-Campestan-22R,23R-diol;124853-28-7;(5alpha,22R,23R,24S)-22,23-dihydroxyergostane-3,6-dione;(5S,8S,9S,10R,13S,14S,17R)-17-[(2S,3R,4R,5S)-3,4-dihydroxy-5,6-dimethylheptan-2-yl]-10,13-dimethyl-2,4,5,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,6-dione;dehydroteasterone;SCHEMBL2167516;DTXSID2040943;CHEBI:20000;LMST01030131;Q27109273;(22R,23R)-22,23-dihydroxy-5alpha-campestane-3,6-dione;(22R,23R,24S)-22,23-dihydroxy-5alpha-ergostane-3,6-dione

Chemical Property of 3-Dehydroteasterone

Chemical Property:

• XLogP3: 5.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 446.33960994
• Heavy Atom Count: 32
• Complexity: 746

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C)C(C)C(C(C(C)C1CCC2C1(CCC3C2CC(=O)C4C3(CCC(=O)C4)C)C)O)O
• Isomeric SMILES: C[C@@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC(=O)[C@@H]4[C@@]3(CCC(=O)C4)C)C)[C@H]([C@@H]([C@@H](C)C(C)C)O)O