1alpha-Methyl-4-androstene-3beta,17beta,19-triol

HCID 70586374
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Basic information

Standard SMILES
C[C@H]1C[C@H](O)C=C2CC[C@H]3[C@@H]4CC[C@H](O)[C@@]4(C)CC[C@@H]3[C@]21CO
InChIKey
NKOGKAYNJBRPAT-XNMNPEGYSA-N
Molecular formula
C20H32O3
Average molar mass
320.5 g/mol

Names & identifiers

Preferred name
1alpha-Methyl-4-androstene-3beta,17beta,19-triol
IUPAC
(1S,3S,8R,9S,10S,13S,14S,17S)-10-(hydroxymethyl)-1,13-dimethyl-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,17-diol

Names & synonyms

SCHEMBL11439764NKOGKAYNJBRPAT-XNMNPEGYSA-N1alpha-methyl-4-androstene-3beta,17beta,19-triol

Database identifiers

PubChem CID
70586374

Properties

Computed structural properties

XLogP
2.6
Topological polar surface area
60.7 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
3
Rotatable bonds
1
Heavy atoms
23

Related reactions

4 records
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Compound notes

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