(8xi,9xi,13xi,14xi)-Estra-1,3,5(10)-trien-17-one

HCID 4594375
NotesReactions

Completing data — usually done within a minute

Substructure searchFind similar structures

Basic information

CAS
22528-37-6
Standard SMILES
CC12CCC3c4ccccc4CCC3C1CCC2=O
InChIKey
LGHBWDKMGOIZKH-UHFFFAOYSA-N
Molecular formula
C18H22O
Average molar mass
254.4 g/mol
Monoisotopic mass
254.16706532

Names & identifiers

Preferred name
(8xi,9xi,13xi,14xi)-Estra-1,3,5(10)-trien-17-one
IUPAC
13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one

Names & synonyms

22528-37-6RefChem:209909(8xi,9xi,13xi,14xi)-Estra-1,3,5(10)-trien-17-oneSCHEMBL10031984

Database identifiers

CAS
22528-37-6
PubChem CID
4594375
DTXSID
DTXSID00858987

Properties

Computed structural propertiesFilling in

XLogP
3.5
Topological polar surface area
17.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
0
Heavy atoms
19

Related reactions

2 records
New reaction record

Compound notes

Loading…