17alpha,19-Dihydroxy-6-methyl-4,6-pregnadiene-3,20-dione

HCID 54075384
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Basic information

Standard SMILES
CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@]4(CO)[C@H]3CC[C@@]21C
InChIKey
MJHYVTAGUULBOH-AUHDTZKSSA-N
Molecular formula
C22H30O4
Average molar mass
358.5 g/mol

Names & identifiers

Preferred name
17alpha,19-Dihydroxy-6-methyl-4,6-pregnadiene-3,20-dione
IUPAC
(8R,9S,10S,13S,14S,17R)-17-acetyl-17-hydroxy-10-(hydroxymethyl)-6,13-dimethyl-2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-3-one

Names & synonyms

SCHEMBL11303204MJHYVTAGUULBOH-AUHDTZKSSA-N17alpha,19-dihydroxy-6-methyl-4,6-pregnadiene-3,20-dione

Database identifiers

PubChem CID
54075384

Properties

Computed structural properties

XLogP
1.3
Topological polar surface area
74.6 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
4
Rotatable bonds
2
Heavy atoms
26

Related reactions

1 records
New reaction record

Compound notes

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