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

Details

Stereochemistry ABSOLUTE
Molecular Formula C27H44O2
Molecular Weight 400.6371
Optical Activity UNSPECIFIED
Defined Stereocenters 8 / 8
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 5.ALPHA.-CHOLESTANE-3,6-DIONE

SMILES

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

InChI

InChIKey=LNGLEOIUQBVRRY-PWNVBJGISA-N
InChI=1S/C27H44O2/c1-17(2)7-6-8-18(3)21-9-10-22-20-16-25(29)24-15-19(28)11-13-27(24,5)23(20)12-14-26(21,22)4/h17-18,20-24H,6-16H2,1-5H3/t18-,20+,21-,22+,23+,24-,26-,27-/m1/s1

HIDE SMILES / InChI

Molecular Formula C27H44O2
Molecular Weight 400.6371
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 Tue Apr 01 19:51:08 GMT 2025
Edited
by admin
on Tue Apr 01 19:51:08 GMT 2025
Record UNII
650H8T140Y
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
5.ALPHA.-CHOLESTANE-3,6-DIONE
Systematic Name English
5.ALPHA.-CHOLESTANE-3,6-DIONE, (+)-
Preferred Name English
CHOLESTANE-3,6-DIONE, (5.ALPHA.)-
Systematic Name English
CHOLESTANE-3,6-DIONE
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID50928821
Created by admin on Tue Apr 01 19:51:08 GMT 2025 , Edited by admin on Tue Apr 01 19:51:08 GMT 2025
PRIMARY
CAS
2243-09-6
Created by admin on Tue Apr 01 19:51:08 GMT 2025 , Edited by admin on Tue Apr 01 19:51:08 GMT 2025
PRIMARY
FDA UNII
650H8T140Y
Created by admin on Tue Apr 01 19:51:08 GMT 2025 , Edited by admin on Tue Apr 01 19:51:08 GMT 2025
PRIMARY
CAS
13492-22-3
Created by admin on Tue Apr 01 19:51:08 GMT 2025 , Edited by admin on Tue Apr 01 19:51:08 GMT 2025
NON-SPECIFIC STEREOCHEMISTRY
PUBCHEM
102233
Created by admin on Tue Apr 01 19:51:08 GMT 2025 , Edited by admin on Tue Apr 01 19:51:08 GMT 2025
PRIMARY