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Details

Stereochemistry ABSOLUTE
Molecular Formula C19H22O3
Molecular Weight 298.3762
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-DEHYDROADRENOSTERONE

SMILES

[H][C@@]12CCC(=O)[C@@]1(C)CC(=O)[C@@]3([H])[C@@]2([H])CCC4=CC(=O)C=C[C@]34C

InChI

InChIKey=RZACPWSZIQKVDY-IRIMSJTPSA-N
InChI=1S/C19H22O3/c1-18-8-7-12(20)9-11(18)3-4-13-14-5-6-16(22)19(14,2)10-15(21)17(13)18/h7-9,13-14,17H,3-6,10H2,1-2H3/t13-,14-,17+,18-,19-/m0/s1

HIDE SMILES / InChI

Molecular Formula C19H22O3
Molecular Weight 298.3762
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 5 / 5
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 12:30:51 UTC 2023
Edited
by admin
on Sat Dec 16 12:30:51 UTC 2023
Record UNII
VR7WQ2G5Z1
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1-DEHYDROADRENOSTERONE
Common Name English
ANDROSTA-1,4-DIENE-3,11,17-TRIONE
Systematic Name English
NSC-82849
Code English
.DELTA.1-ADRENOSTERONE
Common Name English
PREDNISONE IMPURITY K [EP IMPURITY]
Common Name English
Code System Code Type Description
NSC
82849
Created by admin on Sat Dec 16 12:30:52 UTC 2023 , Edited by admin on Sat Dec 16 12:30:52 UTC 2023
PRIMARY
ECHA (EC/EINECS)
231-799-6
Created by admin on Sat Dec 16 12:30:52 UTC 2023 , Edited by admin on Sat Dec 16 12:30:52 UTC 2023
PRIMARY
PUBCHEM
111330
Created by admin on Sat Dec 16 12:30:52 UTC 2023 , Edited by admin on Sat Dec 16 12:30:52 UTC 2023
PRIMARY
EPA CompTox
DTXSID70228097
Created by admin on Sat Dec 16 12:30:52 UTC 2023 , Edited by admin on Sat Dec 16 12:30:52 UTC 2023
PRIMARY
FDA UNII
VR7WQ2G5Z1
Created by admin on Sat Dec 16 12:30:52 UTC 2023 , Edited by admin on Sat Dec 16 12:30:52 UTC 2023
PRIMARY
CAS
7738-93-4
Created by admin on Sat Dec 16 12:30:52 UTC 2023 , Edited by admin on Sat Dec 16 12:30:52 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
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EP