Holamine

Base Information

• Chemical Name: Holamine
• CAS No.: 28840-94-0
• Molecular Formula: C₂₁H₃₃NO
• Molecular Weight: 315.499
• ChEMBL ID: CHEMBL465586
• DSSTox Substance ID: DTXSID301307385
• Metabolomics Workbench ID: 136861
• Nikkaji Number: J1.032.563C
• Wikidata: Q105015092

Synonyms:holamine;CHEMBL465586;SCHEMBL11056163;GPRZXDPWGLHIQE-QYYVTAPASA-N;DTXSID301307385;(3alpha)-3-Aminopregn-5-en-20-one;28840-94-0

Chemical Property of Holamine

Chemical Property:

• XLogP3: 4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 315.256214676
• Heavy Atom Count: 23
• Complexity: 552

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

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

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