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

Details

Stereochemistry ABSOLUTE
Molecular Formula C20H32O2
Molecular Weight 304.4669
Optical Activity UNSPECIFIED
Defined Stereocenters 8 / 8
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 17.BETA.-HYDROXY-4.ALPHA.-METHYL-5-.ALPHA.-ANDROSTAN-3-ONE

SMILES

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

InChI

InChIKey=XHGXHTGXZKYMDE-VDBAHQDGSA-N
InChI=1S/C20H32O2/c1-12-14-5-4-13-15-6-7-18(22)20(15,3)10-8-16(13)19(14,2)11-9-17(12)21/h12-16,18,22H,4-11H2,1-3H3/t12-,13-,14-,15-,16-,18-,19-,20-/m0/s1

HIDE SMILES / InChI

Molecular Formula C20H32O2
Molecular Weight 304.4669
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 Fri Dec 15 15:06:45 GMT 2023
Edited
by admin
on Fri Dec 15 15:06:45 GMT 2023
Record UNII
4J3T93G04F
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
17.BETA.-HYDROXY-4.ALPHA.-METHYL-5-.ALPHA.-ANDROSTAN-3-ONE
Common Name English
5.ALPHA.-ANDROSTAN-3-ONE, 17.BETA.-HYDROXY-4.ALPHA.-METHYL-
Systematic Name English
4-.ALPHA.-METHYL-5.ALPHA.-ANDROSTAN-17.BETA.-OL-3-ONE
Common Name English
NSC-56290
Code English
NSC-45905
Code English
ANDROSTAN-3-ONE, 17-HYDROXY-4-METHYL-, (4.ALPHA.,5.ALPHA.,17.BETA.)-
Systematic Name English
4.ALPHA.-METHYL-17.BETA.-HYDROXY-5.ALPHA.-ANDROSTAN-3-ONE
Systematic Name English
17.BETA.-HYDROXY-4.ALPHA.-METHYL-5.ALPHA.-ANDROST-3-ONE
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID50906205
Created by admin on Fri Dec 15 15:06:45 GMT 2023 , Edited by admin on Fri Dec 15 15:06:45 GMT 2023
PRIMARY
FDA UNII
4J3T93G04F
Created by admin on Fri Dec 15 15:06:45 GMT 2023 , Edited by admin on Fri Dec 15 15:06:45 GMT 2023
PRIMARY
CAS
10147-53-2
Created by admin on Fri Dec 15 15:06:45 GMT 2023 , Edited by admin on Fri Dec 15 15:06:45 GMT 2023
PRIMARY
NSC
56290
Created by admin on Fri Dec 15 15:06:45 GMT 2023 , Edited by admin on Fri Dec 15 15:06:45 GMT 2023
PRIMARY
NSC
45905
Created by admin on Fri Dec 15 15:06:45 GMT 2023 , Edited by admin on Fri Dec 15 15:06:45 GMT 2023
PRIMARY
PUBCHEM
11954137
Created by admin on Fri Dec 15 15:06:45 GMT 2023 , Edited by admin on Fri Dec 15 15:06:45 GMT 2023
PRIMARY