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

Details

Stereochemistry ABSOLUTE
Molecular Formula C26H42O2
Molecular Weight 386.6105
Optical Activity UNSPECIFIED
Defined Stereocenters 8 / 8
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3.BETA.-HYDROXY-27-NORCHOLEST-5-EN-25-ONE

SMILES

[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCCC(C)=O

InChI

InChIKey=NYJPQNDSCIEILZ-ISLLTSAGSA-N
InChI=1S/C26H42O2/c1-17(6-5-7-18(2)27)22-10-11-23-21-9-8-19-16-20(28)12-14-25(19,3)24(21)13-15-26(22,23)4/h8,17,20-24,28H,5-7,9-16H2,1-4H3/t17-,20+,21+,22-,23+,24+,25+,26-/m1/s1

HIDE SMILES / InChI

Molecular Formula C26H42O2
Molecular Weight 386.6105
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 8 / 8
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 18:38:51 GMT 2023
Edited
by admin
on Fri Dec 15 18:38:51 GMT 2023
Record UNII
95H48M26RS
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3.BETA.-HYDROXY-27-NORCHOLEST-5-EN-25-ONE
Common Name English
3.BETA.-HYDROXY-26-NORCHOLEST-5-EN-25-ONE
Common Name English
27-NOR-25-KETOCHOLESTEROL
Common Name English
27-NORCHOLEST-5-EN-25-ONE, 3.BETA.-HYDROXY-
Common Name English
25-OXO-27-NORCHOLESTEROL
Common Name English
NSC-148870
Code English
27-NORCHOLEST-5-EN-25-ONE, 3-HYDROXY-, (3.BETA.)-
Common Name English
Code System Code Type Description
FDA UNII
95H48M26RS
Created by admin on Fri Dec 15 18:38:51 GMT 2023 , Edited by admin on Fri Dec 15 18:38:51 GMT 2023
PRIMARY
EPA CompTox
DTXSID5058644
Created by admin on Fri Dec 15 18:38:51 GMT 2023 , Edited by admin on Fri Dec 15 18:38:51 GMT 2023
PRIMARY
PUBCHEM
165617
Created by admin on Fri Dec 15 18:38:51 GMT 2023 , Edited by admin on Fri Dec 15 18:38:51 GMT 2023
PRIMARY
CAS
7494-34-0
Created by admin on Fri Dec 15 18:38:51 GMT 2023 , Edited by admin on Fri Dec 15 18:38:51 GMT 2023
PRIMARY
NSC
148870
Created by admin on Fri Dec 15 18:38:51 GMT 2023 , Edited by admin on Fri Dec 15 18:38:51 GMT 2023
PRIMARY