9alpha-Bromo-11-hydroxypregna-1,4-diene

HCID 54528535
NotesReactions
Substructure searchFind similar structures

Basic information

Standard SMILES
CC[C@H]1CC[C@H]2[C@@H]3CCC4=CCC=C[C@]4(C)[C@@]3(Br)C(O)C[C@]12C
InChIKey
YUVVHPXHOBIFAT-VMDJZTAFSA-N
Molecular formula
C21H31BrO
Average molar mass
379.4 g/mol
Monoisotopic mass
378.15583

Names & identifiers

Preferred name
9alpha-Bromo-11-hydroxypregna-1,4-diene
IUPAC
(8S,9R,10S,13R,14S,17S)-9-bromo-17-ethyl-10,13-dimethyl-3,6,7,8,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-11-ol

Names & synonyms

SCHEMBL11322140YUVVHPXHOBIFAT-VMDJZTAFSA-N9alpha-bromo-11-hydroxypregna-1,4-diene

Database identifiers

PubChem CID
54528535

Properties

Computed structural properties

XLogP
6
Topological polar surface area
20.2 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
1
Rotatable bonds
1
Heavy atoms
23

Related reactions

1 records
New reaction record

Compound notes

Loading…