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Details

Stereochemistry ABSOLUTE
Molecular Formula C17H22O3
Molecular Weight 274.3548
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 17.BETA.-HYDROXY-2-OXAESTRA-4,9-DIENE-3-ONE

SMILES

C[C@]12CCC3=C4COC(=O)C=C4CC[C@H]3[C@@H]1CC[C@@H]2O

InChI

InChIKey=LBTIEDJPUIYGLT-DYWXZXKOSA-N
InChI=1S/C17H22O3/c1-17-7-6-11-12(14(17)4-5-15(17)18)3-2-10-8-16(19)20-9-13(10)11/h8,12,14-15,18H,2-7,9H2,1H3/t12-,14+,15+,17+/m1/s1

HIDE SMILES / InChI

Molecular Formula C17H22O3
Molecular Weight 274.3548
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 18:08:03 GMT 2025
Edited
by admin
on Mon Mar 31 18:08:03 GMT 2025
Record UNII
89VB2PL504
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
SC-17914
Preferred Name English
17.BETA.-HYDROXY-2-OXAESTRA-4,9-DIENE-3-ONE
Systematic Name English
2-OXA-17.BETA.-HYDROXYESTRA-4,9-DIENE-3-ONE
Systematic Name English
CYCLOPENTA(5,6)NAPHTHO(1,2-C)PYRAN-2(4H)-ONE, 5,6,6A,7,8,9,9A,9B,10,11-DECAHYDRO-7-HYDROXY-6A-METHYL-, (6AS,7S,9AS,9BS)-
Systematic Name English
Code System Code Type Description
FDA UNII
89VB2PL504
Created by admin on Mon Mar 31 18:08:03 GMT 2025 , Edited by admin on Mon Mar 31 18:08:03 GMT 2025
PRIMARY
CAS
20111-37-9
Created by admin on Mon Mar 31 18:08:03 GMT 2025 , Edited by admin on Mon Mar 31 18:08:03 GMT 2025
PRIMARY
PUBCHEM
131801043
Created by admin on Mon Mar 31 18:08:03 GMT 2025 , Edited by admin on Mon Mar 31 18:08:03 GMT 2025
PRIMARY