Structure Database (LMSD)

Common Name
Adrenosterone
Systematic Name
4-Androstenl-3,11,17-trione
Synonyms
  • 11-keto-androstenedione
  • Reichstein's substance G
LM ID
LMST02020126
Formula
Exact Mass
Calculate m/z
300.172545
Sum Composition
Status
Active

Main

Classification

String Representations

InChiKey (Click to copy)
RZRPTBIGEANTGU-IRIMSJTPSA-N
InChi (Click to copy)
InChI=1S/C19H24O3/c1-18-8-7-12(20)9-11(18)3-4-13-14-5-6-16(22)19(14,2)10-15(21)17(13)18/h9,13-14,17H,3-8,10H2,1-2H3/t13-,14-,17+,18-,19-/m0/s1
SMILES (Click to copy)
C1CC(=O)C=C2CC[C@@]3([H])[C@@]4(CCC(=O)[C@@]4(C)CC(=O)[C@]3([H])[C@@]12C)[H]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Homo sapiens (#9606)
Mammalia (#40674)
A new dawn for androgens: Novel lessons from 11-oxygenated C19 steroids.,
Mol Cell Endocrinol, 2017
Pubmed ID: 27519632

Other Databases

Wikipedia
KEGG ID
CHEBI ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 22
Rings 4
Aromatic Rings
Rotatable Bonds
Van der Waals Molecular Volume 303.63
Topological Polar Surface Area 51.21
Hydrogen Bond Donors
Hydrogen Bond Acceptors 3
logP 3.27
Molar Refractivity 82.11

Admin

Created at
10th Mar 2023
Updated at
10th Mar 2023