Structure Database (LMSD)
Common Name
17alpha-hydroxy-alloprogesterone
Systematic Name
5-α-pregnane-3-α, 17α-diol-20-one
Synonyms
LM ID
LMST02030305
Formula
Exact Mass
Calculate m/z
334.250795
Sum Composition
Status
Active
3D model of 17alpha-hydroxy-alloprogesterone
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
Category
Main Class
Sub Class
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Homo sapiens
(#9606)
Mammalia
(#40674)
Prenatal diagnosis of P450 oxidoreductase deficiency (ORD): a disorder causing low pregnancy estriol, maternal and fetal virilization, and the Antley-Bixler syndrome phenotype.,
Am J Med Genet A, 2004
Am J Med Genet A, 2004
Pubmed ID:
15316970
String Representations
InChiKey (Click to copy)
LKQDFQLSEHWIRK-JRRMKBMNSA-N
InChi (Click to copy)
InChI=1S/C21H34O3/c1-13(22)21(24)11-8-18-16-5-4-14-12-15(23)6-9-19(14,2)17(16)7-10-20(18,21)3/h14-18,23-24H,4-12H2,1-3H3/t14-,15+,16+,17-,18-,19-,20-,21-/m0/s1
SMILES (Click to copy)
C1C[C@@H](O)C[C@]2([H])CC[C@@]3([H])[C@]4([H])CC[C@](O)(C(C)=O)[C@@]4(C)CC[C@]3([H])[C@@]12C
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
24
Rings
4
Aromatic Rings
Rotatable Bonds
1
Van der Waals Molecular Volume
346.15
Topological Polar Surface Area
57.53
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
3
logP
4.28
Molar Refractivity
94.39
Admin
Created at
8th Mar 2023
Updated at
9th Mar 2023