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Details

Stereochemistry ABSOLUTE
Molecular Formula C19H24O4
Molecular Weight 316.3915
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 11.BETA.,13-DIHYDROXY-3-OXO-13,17-SECOANDROSTA-1,4-DIEN-17-OIC ACID .DELTA.-LACTONE

SMILES

C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CCC(=O)O2

InChI

InChIKey=HRUQCNZVKJAMRO-KCZNZURUSA-N
InChI=1S/C19H24O4/c1-18-8-7-12(20)9-11(18)3-4-13-14-5-6-16(22)23-19(14,2)10-15(21)17(13)18/h7-9,13-15,17,21H,3-6,10H2,1-2H3/t13-,14-,15-,17+,18-,19-/m0/s1

HIDE SMILES / InChI

Molecular Formula C19H24O4
Molecular Weight 316.3915
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 6 / 6
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 21:25:37 GMT 2025
Edited
by admin
on Mon Mar 31 21:25:37 GMT 2025
Record UNII
D1SEO2257O
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
11.BETA.,13-DIHYDROXY-3-OXO-13,17-SECOANDROSTA-1,4-DIEN-17-OIC ACID .DELTA.-LACTONE
Common Name English
NSC-48013
Preferred Name English
13,17-SECOANDROSTA-1,4-DIEN-17-OIC ACID, 11.BETA.,13-DIHYDROXY-3-OXO-, .DELTA.-LACTONE
Common Name English
1-PHENANTHRENEPROPIONIC ACID, 1,2,3,4,4A,4B,7,9,10,10A-DECAHYDRO-2,4-DIHYDROXY-2,4B-DIMETHYL-7-OXO-, .DELTA.-LACTONE
Common Name English
Code System Code Type Description
NSC
48013
Created by admin on Mon Mar 31 21:25:37 GMT 2025 , Edited by admin on Mon Mar 31 21:25:37 GMT 2025
PRIMARY
CAS
13258-78-1
Created by admin on Mon Mar 31 21:25:37 GMT 2025 , Edited by admin on Mon Mar 31 21:25:37 GMT 2025
PRIMARY
EPA CompTox
DTXSID40157648
Created by admin on Mon Mar 31 21:25:37 GMT 2025 , Edited by admin on Mon Mar 31 21:25:37 GMT 2025
PRIMARY
FDA UNII
D1SEO2257O
Created by admin on Mon Mar 31 21:25:37 GMT 2025 , Edited by admin on Mon Mar 31 21:25:37 GMT 2025
PRIMARY
PUBCHEM
240985
Created by admin on Mon Mar 31 21:25:37 GMT 2025 , Edited by admin on Mon Mar 31 21:25:37 GMT 2025
PRIMARY