1-Hydroxydehydroepiandrosterone

HCID 167955

Basic information

CAS
20998-18-9
Standard SMILES
C[C@]12C(=CC[C@@H]3[C@@H]1CC[C@]1(C)C(=O)CC[C@@H]31)C[C@@H](O)C[C@@H]2O
InChIKey
WWUWPHTVCBJAFV-DYXPHYEZSA-N
Molecular formula
C19H28O3
Average molar mass
304.4 g/mol
Monoisotopic mass
304.20384476

Overview

structure given in first source

Names & identifiers

Preferred name
1-Hydroxydehydroepiandrosterone
IUPAC
(1S,3R,8R,9S,10R,13S,14S)-1,3-dihydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one
English name
1-hydroxydehydroepiandrosterone
Molecular formula
C19H28O3
Molecular weight
304.42

Names & synonyms

1-OH-Dhas20998-18-91-HydroxydehydroepiandrosteroneRefChem:760331alpha-Hydroxydehydroepiandrosterone1alpha,3beta-dihydroxyandrost-5-en-17-one(1S,3R,8R,9S,10R,13S,14S)-1,3-dihydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-oneSCHEMBL2677240DTXSID00943302WWUWPHTVCBJAFV-DYXPHYEZSA-N1,3-dihydroxyandrost-5-en-17-one1alpha-hydroxy-dehydroepiandrosterone
Show more names
PEFC-0011α-Hydroxy-DehydroepiandrosteroneAndrost-5-en-17-one, 1,3-dihydroxy-, (1α,3β)-
Androst-5-en-17-one, 1,3-dihydroxy-, (1alpha,3beta)-

Database identifiers

CAS
20998-18-9
PubChem CID
167955
DTXSID
DTXSID00943302
Nikkaji
J472.091A

Properties

Computed structural properties

XLogP
2.3
Topological polar surface area
57.5 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
3
Rotatable bonds
0
Heavy atoms
22

Physicochemical properties

Melting point
271 · 271-273 °C(Solvent: Methanol)
Boiling point
471.402 · 471.402±45.00 °C(Press: 760.00 Torr)(predicted)
Density
1.194 · 1.194±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
pka
14.56 · 14.560±0.70(predicted)

Chemistry & industry

Suppliers1 total

南京美韬医药科技有限公司[email protected] · [email protected]

Related reactions

6 records

Compound notes

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