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

Details

Stereochemistry ABSOLUTE
Molecular Formula C26H38O3
Molecular Weight 398.5781
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PENTAGESTRONE

SMILES

[H][C@@]12CC[C@](O)(C(C)=O)[C@@]1(C)CC[C@@]3([H])[C@@]2([H])CC=C4C=C(CC[C@]34C)OC5CCCC5

InChI

InChIKey=RBFQPFFCDLXWQK-UXUCURBISA-N
InChI=1S/C26H38O3/c1-17(27)26(28)15-12-23-21-9-8-18-16-20(29-19-6-4-5-7-19)10-13-24(18,2)22(21)11-14-25(23,26)3/h8,16,19,21-23,28H,4-7,9-15H2,1-3H3/t21-,22+,23+,24+,25+,26+/m1/s1

HIDE SMILES / InChI

Molecular Formula C26H38O3
Molecular Weight 398.5781
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 6 / 6
E/Z Centers 0
Optical Activity UNSPECIFIED

Patents

Patents

Substance Class Chemical
Created
by admin
on Fri Dec 15 17:15:44 GMT 2023
Edited
by admin
on Fri Dec 15 17:15:44 GMT 2023
Record UNII
L34YL185WL
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PENTAGESTRONE
INN   MI  
INN  
Official Name English
3-(CYCLOPENTYLOXY)-17-HYDROXYPREGNA-3,5-DIEN-20-ONE
Systematic Name English
PENTAGESTRONE [MI]
Common Name English
pentagestrone [INN]
Common Name English
Code System Code Type Description
INN
1672
Created by admin on Fri Dec 15 17:15:44 GMT 2023 , Edited by admin on Fri Dec 15 17:15:44 GMT 2023
PRIMARY
PUBCHEM
3047827
Created by admin on Fri Dec 15 17:15:44 GMT 2023 , Edited by admin on Fri Dec 15 17:15:44 GMT 2023
PRIMARY
EVMPD
SUB09679MIG
Created by admin on Fri Dec 15 17:15:44 GMT 2023 , Edited by admin on Fri Dec 15 17:15:44 GMT 2023
PRIMARY
CAS
7001-56-1
Created by admin on Fri Dec 15 17:15:44 GMT 2023 , Edited by admin on Fri Dec 15 17:15:44 GMT 2023
PRIMARY
SMS_ID
100000082506
Created by admin on Fri Dec 15 17:15:44 GMT 2023 , Edited by admin on Fri Dec 15 17:15:44 GMT 2023
PRIMARY
WIKIPEDIA
Pentagestrone
Created by admin on Fri Dec 15 17:15:44 GMT 2023 , Edited by admin on Fri Dec 15 17:15:44 GMT 2023
PRIMARY
NCI_THESAURUS
C170309
Created by admin on Fri Dec 15 17:15:44 GMT 2023 , Edited by admin on Fri Dec 15 17:15:44 GMT 2023
PRIMARY
FDA UNII
L34YL185WL
Created by admin on Fri Dec 15 17:15:44 GMT 2023 , Edited by admin on Fri Dec 15 17:15:44 GMT 2023
PRIMARY
EPA CompTox
DTXSID101016504
Created by admin on Fri Dec 15 17:15:44 GMT 2023 , Edited by admin on Fri Dec 15 17:15:44 GMT 2023
PRIMARY
MERCK INDEX
m8495
Created by admin on Fri Dec 15 17:15:44 GMT 2023 , Edited by admin on Fri Dec 15 17:15:44 GMT 2023
PRIMARY Merck Index
ChEMBL
CHEMBL2104801
Created by admin on Fri Dec 15 17:15:44 GMT 2023 , Edited by admin on Fri Dec 15 17:15:44 GMT 2023
PRIMARY
DRUG CENTRAL
3423
Created by admin on Fri Dec 15 17:15:44 GMT 2023 , Edited by admin on Fri Dec 15 17:15:44 GMT 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY