Basic information
- Standard SMILES
CC12CCC3C(CC=C4CC(OS(=O)(=O)O)CCC43C)C1CCC2=O- InChIKey
CZWCKYRVOZZJNM-UHFFFAOYSA-N- Molecular formula
- C19H28O5S
- Average molar mass
- 368.5 g/mol
- Monoisotopic mass
- 368.16574516
Overview
17-Oxoandrost-5-en-3-yl hydrogen sulfate has been reported in Homo sapiens with data available.
Names & identifiers
- Preferred name
- 10,13-Dimethyl-17-oxo-3-sulfooxy-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[A]phenanthrene
- IUPAC
- (10,13-dimethyl-17-oxo-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl) hydrogen sulfate
Names & synonyms
10,13-DIMETHYL-17-OXO-3-SULFOOXY-1,2,3,4,7,8,9,11,12,14,15,16-DODECAHYDROCYCLOPENTA[A]PHENANTHRENEFormylisoglutamic acid17-Oxoandrost-5-en-3-yl hydrogen sulfateNCIOpen2_008937CHEMBL141691SCHEMBL12871723DTXSID50859525CZWCKYRVOZZJNM-UHFFFAOYSA-N[(2R,5S,15S)-2,15-dimethyl-14-oxotetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-7-en-5-yl]oxidanesulfonic acidPD07443417-Oxoandrost-5-en-3-yl hydrogen sulfate #
Database identifiers
- PubChem CID
- 5244
- DTXSID
DTXSID50859525- ChEMBL
CHEMBL141691
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 89.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 721
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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