A-NORANDROSTANE-2-beta,17-beta-DIOL, 2-alpha-ETHYNYL-17-alpha-METHYL-

Base Information

• Chemical Name: A-NORANDROSTANE-2-beta,17-beta-DIOL, 2-alpha-ETHYNYL-17-alpha-METHYL-
• CAS No.: 52-73-3
• Molecular Formula: C21H32O2
• Molecular Weight: 316.4776
• UNII: 521UMF9BM9
• DSSTox Substance ID: DTXSID10966325

Synonyms:52-73-3;UNII-521UMF9BM9;A-NORANDROSTANE-2-beta,17-beta-DIOL, 2-alpha-ETHYNYL-17-alpha-METHYL-;521UMF9BM9;Dicyclopenta[a,f]naphthalene, A-norandrostane-2,17-diol deriv;2-alpha-Ethynyl-17-alpha-methyl-A-norandrostane-2-beta,17-beta-diol;Dicyclopenta(a,f)naphthalene, A-norandrostane-2,17-diol deriv;2-Ethynyl-17-methyl-a-norandrostane-2,17-diol, (2beta,5alpha,17beta)-;NIOSH/RB5876650;DTXSID10966325;LS-96998;RB58766500;Q27260946;2-Ethynyl-17-methyl-A-norandrostane-2-beta,17-beta-diol;A-Norandrostane-2-beta,17-beta-diol, 2-ethynyl-17-methyl-;(2beta,5alpha,17beta)-2-ethynyl-17-methyl-a-norandrostane-2,17-diol;2-ETHYNYL-17-METHYL-A-NOR-5.ALPHA.-ANDROSTANE-2.BETA.,17.BETA.-DIOL;2-ETHYNYL-17-METHYL-A-NORANDROSTANE-2,17-DIOL, (2.BETA.,5.ALPHA.,17.BETA.)-;7-Ethynyl-1,8a,10a-trimethylhexadecahydrodicyclopenta[a,f]naphthalene-1,7-diol;A-NOR-5.ALPHA.-ANDROSTANE-2.BETA.,17.BETA.-DIOL, 2-ETHYNYL-17-METHYL-;A-NORANDROSTANE-2,17-DIOL, 2-ETHYNYL-17-METHYL-, (2.BETA.,5.ALPHA.,17.BETA.)-

Chemical Property of A-NORANDROSTANE-2-beta,17-beta-DIOL, 2-alpha-ETHYNYL-17-alpha-METHYL-

Chemical Property:

• Vapor Pressure: 9.3E-09mmHg at 25°C
• Boiling Point: 418.6°C at 760 mmHg
• PKA: 13.26±0.70(Predicted)
• Flash Point: 183.4°C
• PSA: 40.46000
• Density: 1.12g/cm³
• LogP: 3.75430
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 316.240230259
• Heavy Atom Count: 23
• Complexity: 576

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC12CCC3C(C1CCC2(C)O)CCC4C3(CC(C4)(C#C)O)C
• Isomeric SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C)O)CC[C@@H]4[C@@]3(C[C@](C4)(C#C)O)C

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