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

Details

Stereochemistry ABSOLUTE
Molecular Formula C20H30O2
Molecular Weight 302.451
Optical Activity UNSPECIFIED
Defined Stereocenters 7 / 7
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-METHYLENEANDROSTERONE

SMILES

C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H](O)CC(=C)[C@]34C)[C@@H]1CCC2=O

InChI

InChIKey=YSEVFKWFUGTGAQ-MCMLKMLFSA-N
InChI=1S/C20H30O2/c1-12-10-14(21)11-13-4-5-15-16-6-7-18(22)19(16,2)9-8-17(15)20(12,13)3/h13-17,21H,1,4-11H2,2-3H3/t13-,14+,15-,16-,17-,19-,20-/m0/s1

HIDE SMILES / InChI

Molecular Formula C20H30O2
Molecular Weight 302.451
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 7 / 7
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 23:21:35 GMT 2025
Edited
by admin
on Mon Mar 31 23:21:35 GMT 2025
Record UNII
64ISP9XR7D
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(3.ALPHA.,5.ALPHA.)-3-HYDROXY-1-METHYLENEANDROSTAN-17-ONE
Preferred Name English
1-METHYLENEANDROSTERONE
Common Name English
1-METHYLENE-5.ALPHA.-ANDROSTAN-3.ALPHA.-OL-17-ONE
Systematic Name English
3-HYDROXY-1-METHYLENEANDROSTAN-17-ONE
Systematic Name English
ANDROSTAN-17-ONE, 3-HYDROXY-1-METHYLENE-, (3.ALPHA.,5.ALPHA.)-
Systematic Name English
3.ALPHA.-HYDROXY-1-METHYLENE-5.ALPHA.-ANDROSTAN-17-ONE
Systematic Name English
Code System Code Type Description
FDA UNII
64ISP9XR7D
Created by admin on Mon Mar 31 23:21:35 GMT 2025 , Edited by admin on Mon Mar 31 23:21:35 GMT 2025
PRIMARY
CAS
3398-66-1
Created by admin on Mon Mar 31 23:21:35 GMT 2025 , Edited by admin on Mon Mar 31 23:21:35 GMT 2025
PRIMARY
EPA CompTox
DTXSID40955560
Created by admin on Mon Mar 31 23:21:35 GMT 2025 , Edited by admin on Mon Mar 31 23:21:35 GMT 2025
PRIMARY
PUBCHEM
21122995
Created by admin on Mon Mar 31 23:21:35 GMT 2025 , Edited by admin on Mon Mar 31 23:21:35 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
MAJOR
URINE