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

Details

Stereochemistry ABSOLUTE
Molecular Formula C23H36O4
Molecular Weight 376.5295
Optical Activity UNSPECIFIED
Defined Stereocenters 8 / 8
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ANDROSTANE-3,17-DIOL, DIACETATE, (3.BETA.,5.ALPHA.,17.BETA.)-

SMILES

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

InChI

InChIKey=BQIBBYLXJDSLIR-FTQGCKHGSA-N
InChI=1S/C23H36O4/c1-14(24)26-17-9-11-22(3)16(13-17)5-6-18-19-7-8-21(27-15(2)25)23(19,4)12-10-20(18)22/h16-21H,5-13H2,1-4H3/t16-,17-,18-,19-,20-,21-,22-,23-/m0/s1

HIDE SMILES / InChI

Molecular Formula C23H36O4
Molecular Weight 376.5295
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 Sat Dec 16 07:57:02 GMT 2023
Edited
by admin
on Sat Dec 16 07:57:02 GMT 2023
Record UNII
9Q624HX0LA
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ANDROSTANE-3,17-DIOL, DIACETATE, (3.BETA.,5.ALPHA.,17.BETA.)-
Systematic Name English
ANDROSTANE-3,17-DIOL, 3,17-DIACETATE, (3.BETA.,5.ALPHA.,17.BETA.)-
Systematic Name English
3.BETA.,17.BETA.-DIACETOXY-5.ALPHA.-ANDROSTANE
Systematic Name English
ANDROSTANE-3,17-DIOL,DIACETATE,(3.BETA.,5.ALPHA.,17.BETA.)-
Common Name English
5.ALPHA.-ANDROSTANE-3.BETA.,17.BETA.-DIOL, DIACETATE
Systematic Name English
NSC-12207
Code English
Code System Code Type Description
EPA CompTox
DTXSID20969226
Created by admin on Sat Dec 16 07:57:02 GMT 2023 , Edited by admin on Sat Dec 16 07:57:02 GMT 2023
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CAS
5424-40-8
Created by admin on Sat Dec 16 07:57:02 GMT 2023 , Edited by admin on Sat Dec 16 07:57:02 GMT 2023
PRIMARY
FDA UNII
9Q624HX0LA
Created by admin on Sat Dec 16 07:57:02 GMT 2023 , Edited by admin on Sat Dec 16 07:57:02 GMT 2023
PRIMARY
PUBCHEM
224008
Created by admin on Sat Dec 16 07:57:02 GMT 2023 , Edited by admin on Sat Dec 16 07:57:02 GMT 2023
PRIMARY
NSC
12207
Created by admin on Sat Dec 16 07:57:02 GMT 2023 , Edited by admin on Sat Dec 16 07:57:02 GMT 2023
PRIMARY