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

Details

Stereochemistry ABSOLUTE
Molecular Formula C21H36O3
Molecular Weight 336.5087
Optical Activity UNSPECIFIED
Defined Stereocenters 9 / 9
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PREGNANE-3,17,20-TRIOL, (3.ALPHA.,5.BETA.,20S)-

SMILES

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

InChI

InChIKey=SCPADBBISMMJAW-UHHUKTEYSA-N
InChI=1S/C21H36O3/c1-13(22)21(24)11-8-18-16-5-4-14-12-15(23)6-9-19(14,2)17(16)7-10-20(18,21)3/h13-18,22-24H,4-12H2,1-3H3/t13-,14+,15+,16+,17-,18-,19-,20-,21-/m0/s1

HIDE SMILES / InChI

Molecular Formula C21H36O3
Molecular Weight 336.5087
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 9 / 9
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 05:49:19 UTC 2023
Edited
by admin
on Sat Dec 16 05:49:19 UTC 2023
Record UNII
43822S61TB
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PREGNANE-3,17,20-TRIOL, (3.ALPHA.,5.BETA.,20S)-
Systematic Name English
3.ALPHA.,17.ALPHA.,20.ALPHA.-TRIHYDROXY-5.BETA.-PREGNANE
Common Name English
5.BETA.-PREGNANE-3.ALPHA.,17.ALPHA.,20.ALPHA.-TRIOL
Common Name English
5.BETA.-PREGNANE-3.ALPHA.,17,20.ALPHA.-TRIOL
Common Name English
NSC-52760
Code English
PREGNANETRIOL
Systematic Name English
Classification Tree Code System Code
LOINC 39566-5
Created by admin on Sat Dec 16 05:49:19 UTC 2023 , Edited by admin on Sat Dec 16 05:49:19 UTC 2023
LOINC 82899-6
Created by admin on Sat Dec 16 05:49:19 UTC 2023 , Edited by admin on Sat Dec 16 05:49:19 UTC 2023
LOINC 82852-5
Created by admin on Sat Dec 16 05:49:19 UTC 2023 , Edited by admin on Sat Dec 16 05:49:19 UTC 2023
LOINC 34361-6
Created by admin on Sat Dec 16 05:49:19 UTC 2023 , Edited by admin on Sat Dec 16 05:49:19 UTC 2023
LOINC 82853-3
Created by admin on Sat Dec 16 05:49:19 UTC 2023 , Edited by admin on Sat Dec 16 05:49:19 UTC 2023
LOINC 34360-8
Created by admin on Sat Dec 16 05:49:19 UTC 2023 , Edited by admin on Sat Dec 16 05:49:19 UTC 2023
LOINC 82855-8
Created by admin on Sat Dec 16 05:49:19 UTC 2023 , Edited by admin on Sat Dec 16 05:49:19 UTC 2023
LOINC 15092-0
Created by admin on Sat Dec 16 05:49:19 UTC 2023 , Edited by admin on Sat Dec 16 05:49:19 UTC 2023
LOINC 2836-5
Created by admin on Sat Dec 16 05:49:19 UTC 2023 , Edited by admin on Sat Dec 16 05:49:19 UTC 2023
LOINC 14886-6
Created by admin on Sat Dec 16 05:49:19 UTC 2023 , Edited by admin on Sat Dec 16 05:49:19 UTC 2023
LOINC 82854-1
Created by admin on Sat Dec 16 05:49:19 UTC 2023 , Edited by admin on Sat Dec 16 05:49:19 UTC 2023
LOINC 2835-7
Created by admin on Sat Dec 16 05:49:19 UTC 2023 , Edited by admin on Sat Dec 16 05:49:19 UTC 2023
LOINC 30512-8
Created by admin on Sat Dec 16 05:49:19 UTC 2023 , Edited by admin on Sat Dec 16 05:49:19 UTC 2023
LOINC 82898-8
Created by admin on Sat Dec 16 05:49:19 UTC 2023 , Edited by admin on Sat Dec 16 05:49:19 UTC 2023
CFR 21 CFR 862.1610
Created by admin on Sat Dec 16 05:49:19 UTC 2023 , Edited by admin on Sat Dec 16 05:49:19 UTC 2023
Code System Code Type Description
EPA CompTox
DTXSID00911364
Created by admin on Sat Dec 16 05:49:19 UTC 2023 , Edited by admin on Sat Dec 16 05:49:19 UTC 2023
PRIMARY
NSC
52760
Created by admin on Sat Dec 16 05:49:19 UTC 2023 , Edited by admin on Sat Dec 16 05:49:19 UTC 2023
PRIMARY
PUBCHEM
101967
Created by admin on Sat Dec 16 05:49:19 UTC 2023 , Edited by admin on Sat Dec 16 05:49:19 UTC 2023
PRIMARY
ECHA (EC/EINECS)
214-148-0
Created by admin on Sat Dec 16 05:49:19 UTC 2023 , Edited by admin on Sat Dec 16 05:49:19 UTC 2023
PRIMARY
CAS
1098-45-9
Created by admin on Sat Dec 16 05:49:19 UTC 2023 , Edited by admin on Sat Dec 16 05:49:19 UTC 2023
PRIMARY
FDA UNII
43822S61TB
Created by admin on Sat Dec 16 05:49:19 UTC 2023 , Edited by admin on Sat Dec 16 05:49:19 UTC 2023
PRIMARY
WIKIPEDIA
PREGNANETRIOL
Created by admin on Sat Dec 16 05:49:19 UTC 2023 , Edited by admin on Sat Dec 16 05:49:19 UTC 2023
PRIMARY