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

Details

Stereochemistry ABSOLUTE
Molecular Formula C21H34O4
Molecular Weight 350.4923
Optical Activity UNSPECIFIED
Defined Stereocenters 9 / 9
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ALLOPREGNANE-3.BETA.,11.BETA.,21-TRIOL-20-ONE

SMILES

[H][C@@]12CC[C@H](C(=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=RHQQHZQUAMFINJ-GKWSUJDHSA-N
InChI=1S/C21H34O4/c1-20-8-7-13(23)9-12(20)3-4-14-15-5-6-16(18(25)11-22)21(15,2)10-17(24)19(14)20/h12-17,19,22-24H,3-11H2,1-2H3/t12-,13-,14-,15-,16+,17-,19+,20-,21-/m0/s1

HIDE SMILES / InChI

Approval Year

Unknown
139594
Name Type Language
ALLOPREGNANE-3.BETA.,11.BETA.,21-TRIOL-20-ONE
MI  
Common Name English
5.ALPHA.-PREGNAN-20-ONE, 3.BETA.,11.BETA.,21-TRIHYDROXY-
Systematic Name English
REICHSTEIN'S SUBSTANCE R
Common Name English
3.BETA.,5.ALPHA.-TETRAHYDROCORTICOSTERONE
Common Name English
5.ALPHA.-PREGNAN-3.BETA.,11.BETA.,21-TRIOL-20-ONE
Common Name English
CORTICOSTERONE, 3-ALLOTETRAHYDRO-, (3.BETA.)-
Common Name English
PREGNAN-20-ONE, 3,11,21-TRIHYDROXY-, (3.BETA.,5.ALPHA.,11.BETA.)-
Systematic Name English
ALLOPREGNANE-3.BETA.,11.BETA.,21-TRIOL-20-ONE [MI]
Common Name English
ALLOCORTICOSTERONE, TETRAHYDRO-
Common Name English
3.BETA.,11.BETA.,21-TRIHYDROXY-5.ALPHA.-PREGNAN-20-ONE
Systematic Name English
3.BETA.,11.BETA.,21-TRIHYDROXY-5.ALPHA.-PREGNANE-20-ONE
Systematic Name English
3.BETA.-ALLOTETRAHYDROCORTICOSTERONE
Common Name English
SUBSTANCE R
Common Name English
Classification Tree Code System Code
LOINC 82849-1
Created by admin on Fri Dec 15 15:18:01 GMT 2023 , Edited by admin on Fri Dec 15 15:18:01 GMT 2023
LOINC 50644-4
Created by admin on Fri Dec 15 15:18:01 GMT 2023 , Edited by admin on Fri Dec 15 15:18:01 GMT 2023
LOINC 82848-3
Created by admin on Fri Dec 15 15:18:01 GMT 2023 , Edited by admin on Fri Dec 15 15:18:01 GMT 2023
LOINC 73889-8
Created by admin on Fri Dec 15 15:18:01 GMT 2023 , Edited by admin on Fri Dec 15 15:18:01 GMT 2023
LOINC 82847-5
Created by admin on Fri Dec 15 15:18:01 GMT 2023 , Edited by admin on Fri Dec 15 15:18:01 GMT 2023
LOINC 82846-7
Created by admin on Fri Dec 15 15:18:01 GMT 2023 , Edited by admin on Fri Dec 15 15:18:01 GMT 2023
LOINC 82907-7
Created by admin on Fri Dec 15 15:18:01 GMT 2023 , Edited by admin on Fri Dec 15 15:18:01 GMT 2023
LOINC 81796-5
Created by admin on Fri Dec 15 15:18:01 GMT 2023 , Edited by admin on Fri Dec 15 15:18:01 GMT 2023
LOINC 73888-0
Created by admin on Fri Dec 15 15:18:01 GMT 2023 , Edited by admin on Fri Dec 15 15:18:01 GMT 2023
LOINC 9579-4
Created by admin on Fri Dec 15 15:18:01 GMT 2023 , Edited by admin on Fri Dec 15 15:18:01 GMT 2023
LOINC 73887-2
Created by admin on Fri Dec 15 15:18:01 GMT 2023 , Edited by admin on Fri Dec 15 15:18:01 GMT 2023
LOINC 82906-9
Created by admin on Fri Dec 15 15:18:01 GMT 2023 , Edited by admin on Fri Dec 15 15:18:01 GMT 2023
Code System Code Type Description
CAS
516-16-5
Created by admin on Fri Dec 15 15:18:01 GMT 2023 , Edited by admin on Fri Dec 15 15:18:01 GMT 2023
PRIMARY
PUBCHEM
11530409
Created by admin on Fri Dec 15 15:18:01 GMT 2023 , Edited by admin on Fri Dec 15 15:18:01 GMT 2023
PRIMARY
MERCK INDEX
m1536
Created by admin on Fri Dec 15 15:18:01 GMT 2023 , Edited by admin on Fri Dec 15 15:18:01 GMT 2023
PRIMARY Merck Index
EPA CompTox
DTXSID70199551
Created by admin on Fri Dec 15 15:18:01 GMT 2023 , Edited by admin on Fri Dec 15 15:18:01 GMT 2023
PRIMARY
FDA UNII
F590898GCA
Created by admin on Fri Dec 15 15:18:01 GMT 2023 , Edited by admin on Fri Dec 15 15:18:01 GMT 2023
PRIMARY
NIH
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