10beta-Hydroxy-4-estrene-3,17-dione formate
PubChem CID
133857
Structure
Molecular Formula
Synonyms
- 82183-64-0
- 10beta-Hydroxy-4-estrene-3,17-dione formate
- 10-Hedf
- DTXSID601002532
- 3,17-Dioxoestr-4-en-10-yl formate
Molecular Weight
316.4 g/mol
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Dates
- Create:2005-08-08
- Modify:2025-01-11
Chemical Structure Depiction
[(8S,9S,13S,14S)-13-methyl-3,17-dioxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-10-yl] formate
Computed by Lexichem TK 2.7.0 (PubChem release 2024.11.20)
InChI=1S/C19H24O4/c1-18-8-7-16-14(15(18)4-5-17(18)22)3-2-12-10-13(21)6-9-19(12,16)23-11-20/h10-11,14-16H,2-9H2,1H3/t14-,15-,16-,18-,19?/m0/s1
Computed by InChI 1.07.0 (PubChem release 2024.11.20)
HPRLLPRHJQYFQS-WYDHKZDJSA-N
Computed by InChI 1.07.0 (PubChem release 2024.11.20)
C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=CC(=O)CCC34OC=O
Computed by OEChem 2.3.0 (PubChem release 2024.12.12)
C19H24O4
Computed by PubChem 2.2 (PubChem release 2024.11.20)
82183-64-0
- 10 beta-hydroxy-4-estrene-3,17-dione formate
- 10-HEDF
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
316.4 g/mol
Reference
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Property Name
XLogP3-AA
Property Value
1.8
Reference
Computed by XLogP3 3.0 (PubChem release 2024.11.20)
Property Name
Hydrogen Bond Donor Count
Property Value
0
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Hydrogen Bond Acceptor Count
Property Value
4
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Rotatable Bond Count
Property Value
2
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Exact Mass
Property Value
316.16745924 Da
Reference
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Property Name
Monoisotopic Mass
Property Value
316.16745924 Da
Reference
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Property Name
Topological Polar Surface Area
Property Value
60.4 Ų
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Heavy Atom Count
Property Value
23
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
606
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Isotope Atom Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Atom Stereocenter Count
Property Value
4
Reference
Computed by PubChem
Property Name
Undefined Atom Stereocenter Count
Property Value
1
Reference
Computed by PubChem
Property Name
Defined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Covalently-Bonded Unit Count
Property Value
1
Reference
Computed by PubChem
Property Name
Compound Is Canonicalized
Property Value
Yes
Reference
Computed by PubChem (release 2010.01.29)
Follow these links to do a live 2D search or do a live 3D search for this compound, sorted by annotation score. This section is deprecated (see here for details), but these live search links provide equivalent functionality to the table that was previously shown here.
Same Connectivity Count
Same Parent, Connectivity Count
Similar Compounds (2D)
Similar Conformers (3D)
Same Count
- ChemIDplus10beta-Hydroxy-4-estrene-3,17-dione formatehttps://pubchem.ncbi.nlm.nih.gov/substance/?source=chemidplus&sourceid=0082183640ChemIDplus Chemical Information Classificationhttps://pubchem.ncbi.nlm.nih.gov/source/ChemIDplus
- EPA DSSTox3,17-Dioxoestr-4-en-10-yl formatehttps://comptox.epa.gov/dashboard/DTXSID601002532CompTox Chemicals Dashboard Chemical Listshttps://comptox.epa.gov/dashboard/chemical-lists/
- Wikidata3,17-Dioxoestr-4-en-10-yl formatehttps://www.wikidata.org/wiki/Q82996730
- PubChem
- Medical Subject Headings (MeSH)LICENSEWorks produced by the U.S. government are not subject to copyright protection in the United States. Any such works found on National Library of Medicine (NLM) Web sites may be freely used or reproduced without permission in the U.S.https://www.nlm.nih.gov/copyright.html10 beta-hydroxy-4-estrene-3,17-dione formatehttps://www.ncbi.nlm.nih.gov/mesh/67034721
CONTENTS