U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C20H28O3
Molecular Weight 316.4345
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ENESTEBOL

SMILES

[H][C@@]12CC[C@](C)(O)[C@@]1(C)CC[C@@]3([H])[C@@]2([H])CCC4=C(O)C(=O)C=C[C@]34C

InChI

InChIKey=XMPHGFYWQPUCAG-XMUHMHRVSA-N
InChI=1S/C20H28O3/c1-18-9-8-16(21)17(22)15(18)5-4-12-13(18)6-10-19(2)14(12)7-11-20(19,3)23/h8-9,12-14,22-23H,4-7,10-11H2,1-3H3/t12-,13+,14+,18-,19+,20+/m1/s1

HIDE SMILES / InChI

Molecular Formula C20H28O3
Molecular Weight 316.4345
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 6 / 6
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 16:54:55 GMT 2023
Edited
by admin
on Sat Dec 16 16:54:55 GMT 2023
Record UNII
LNS3MVH7NV
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ENESTEBOL
INN  
INN  
Official Name English
enestebol [INN]
Common Name English
4,17.BETA.-DIHYDROXY-17-METHYLANDROSTA-1,4-DIEN-3-ONE
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C2360
Created by admin on Sat Dec 16 16:54:55 GMT 2023 , Edited by admin on Sat Dec 16 16:54:55 GMT 2023
Code System Code Type Description
PUBCHEM
20055318
Created by admin on Sat Dec 16 16:54:55 GMT 2023 , Edited by admin on Sat Dec 16 16:54:55 GMT 2023
PRIMARY
WIKIPEDIA
ENESTEBOL
Created by admin on Sat Dec 16 16:54:55 GMT 2023 , Edited by admin on Sat Dec 16 16:54:55 GMT 2023
PRIMARY
EPA CompTox
DTXSID40945880
Created by admin on Sat Dec 16 16:54:55 GMT 2023 , Edited by admin on Sat Dec 16 16:54:55 GMT 2023
PRIMARY
FDA UNII
LNS3MVH7NV
Created by admin on Sat Dec 16 16:54:55 GMT 2023 , Edited by admin on Sat Dec 16 16:54:55 GMT 2023
PRIMARY
SMS_ID
100000080209
Created by admin on Sat Dec 16 16:54:55 GMT 2023 , Edited by admin on Sat Dec 16 16:54:55 GMT 2023
PRIMARY
NCI_THESAURUS
C81377
Created by admin on Sat Dec 16 16:54:55 GMT 2023 , Edited by admin on Sat Dec 16 16:54:55 GMT 2023
PRIMARY
CAS
2320-86-7
Created by admin on Sat Dec 16 16:54:55 GMT 2023 , Edited by admin on Sat Dec 16 16:54:55 GMT 2023
PRIMARY
INN
2735
Created by admin on Sat Dec 16 16:54:55 GMT 2023 , Edited by admin on Sat Dec 16 16:54:55 GMT 2023
PRIMARY
ChEMBL
CHEMBL2104239
Created by admin on Sat Dec 16 16:54:55 GMT 2023 , Edited by admin on Sat Dec 16 16:54:55 GMT 2023
PRIMARY
EVMPD
SUB06528MIG
Created by admin on Sat Dec 16 16:54:55 GMT 2023 , Edited by admin on Sat Dec 16 16:54:55 GMT 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY