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

Details

Stereochemistry ABSOLUTE
Molecular Formula C23H30O5
Molecular Weight 386.4813
Optical Activity UNSPECIFIED
Defined Stereocenters 7 / 7
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of (2α)-17-(Acetyloxy)-2-hydroxy-6-methyl-19-norpregna-4,6-diene-3,20-dione

SMILES

[H][C@@]12CC[C@](OC(C)=O)(C(C)=O)[C@@]1(C)CC[C@]3([H])[C@@]4([H])C[C@@H](O)C(=O)C=C4C(C)=C[C@@]23[H]

InChI

InChIKey=BERLSMDPTRFWJX-IWJARNJWSA-N
InChI=1S/C23H30O5/c1-12-9-18-15(17-11-21(27)20(26)10-16(12)17)5-7-22(4)19(18)6-8-23(22,13(2)24)28-14(3)25/h9-10,15,17-19,21,27H,5-8,11H2,1-4H3/t15-,17-,18-,19+,21-,22+,23+/m1/s1

HIDE SMILES / InChI

Molecular Formula C23H30O5
Molecular Weight 386.4813
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 Sat Dec 16 19:48:56 GMT 2023
Edited
by admin
on Sat Dec 16 19:48:56 GMT 2023
Record UNII
ET63GCG8TP
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(2α)-17-(Acetyloxy)-2-hydroxy-6-methyl-19-norpregna-4,6-diene-3,20-dione
Common Name English
19-Norpregna-4,6-diene-3,20-dione, 17-(acetyloxy)-2-hydroxy-6-methyl-, (2α)-
Common Name English
Code System Code Type Description
CAS
1800078-54-9
Created by admin on Sat Dec 16 19:48:56 GMT 2023 , Edited by admin on Sat Dec 16 19:48:56 GMT 2023
PRIMARY
FDA UNII
ET63GCG8TP
Created by admin on Sat Dec 16 19:48:56 GMT 2023 , Edited by admin on Sat Dec 16 19:48:56 GMT 2023
PRIMARY
PUBCHEM
168429523
Created by admin on Sat Dec 16 19:48:56 GMT 2023 , Edited by admin on Sat Dec 16 19:48:56 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE