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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

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

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 9 / 10
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 09:16:42 GMT 2023
Edited
by admin
on Sat Dec 16 09:16:42 GMT 2023
Record UNII
5IHL40EHNB
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
.ALPHA.-CORTOL
MI  
Common 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
NSC-60459
Code English
Code System Code Type Description
PUBCHEM
246873
Created by admin on Sat Dec 16 09:16:42 GMT 2023 , Edited by admin on Sat Dec 16 09:16:42 GMT 2023
PRIMARY
EPA CompTox
DTXSID90862093
Created by admin on Sat Dec 16 09:16:42 GMT 2023 , Edited by admin on Sat Dec 16 09:16:42 GMT 2023
PRIMARY
CAS
516-38-1
Created by admin on Sat Dec 16 09:16:42 GMT 2023 , Edited by admin on Sat Dec 16 09:16:42 GMT 2023
PRIMARY
FDA UNII
5IHL40EHNB
Created by admin on Sat Dec 16 09:16:42 GMT 2023 , Edited by admin on Sat Dec 16 09:16:42 GMT 2023
PRIMARY
NSC
60459
Created by admin on Sat Dec 16 09:16:42 GMT 2023 , Edited by admin on Sat Dec 16 09:16:42 GMT 2023
PRIMARY