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Details

Stereochemistry ABSOLUTE
Molecular Formula C21H36O5
Molecular Weight 368.5075
Optical Activity UNSPECIFIED
Defined Stereocenters 10 / 10
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of .ALPHA.-CORTOL

SMILES

C[C@]12C[C@H](O)[C@H]3[C@@H](CC[C@@H]4C[C@H](O)CC[C@]34C)[C@@H]1CC[C@]2(O)[C@@H](O)CO

InChI

InChIKey=FFPUNPBUZDTHJI-XPOJVAQCSA-N
InChI=1S/C21H36O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h12-18,22-26H,3-11H2,1-2H3/t12-,13-,14+,15+,16+,17+,18-,19+,20+,21+/m1/s1

HIDE SMILES / InChI

Molecular Formula C21H36O5
Molecular Weight 368.5075
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 10 / 10
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 22:36:06 GMT 2025
Edited
by admin
on Mon Mar 31 22:36:06 GMT 2025
Record UNII
5IHL40EHNB
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
.ALPHA.-CORTOL
MI  
Common Name English
NSC-60459
Preferred Name English
CORTOL
Common Name English
PREGNANE-3,11,17,20,21-PENTOL, (3.ALPHA.,5.BETA.,11.BETA.,20S)-
Systematic Name English
.ALPHA.-CORTOL [MI]
Common Name English
3.ALPHA.,11.BETA.,17,20.ALPHA.,21-PENTAHYDROXYPREGNANE
Systematic Name English
20.ALPHA.-CORTOL
Common Name English
Code System Code Type Description
PUBCHEM
246873
Created by admin on Mon Mar 31 22:36:06 GMT 2025 , Edited by admin on Mon Mar 31 22:36:06 GMT 2025
PRIMARY
EPA CompTox
DTXSID90862093
Created by admin on Mon Mar 31 22:36:06 GMT 2025 , Edited by admin on Mon Mar 31 22:36:06 GMT 2025
PRIMARY
CAS
516-38-1
Created by admin on Mon Mar 31 22:36:06 GMT 2025 , Edited by admin on Mon Mar 31 22:36:06 GMT 2025
PRIMARY
FDA UNII
5IHL40EHNB
Created by admin on Mon Mar 31 22:36:06 GMT 2025 , Edited by admin on Mon Mar 31 22:36:06 GMT 2025
PRIMARY
NSC
60459
Created by admin on Mon Mar 31 22:36:06 GMT 2025 , Edited by admin on Mon Mar 31 22:36:06 GMT 2025
PRIMARY