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Details

Stereochemistry ABSOLUTE
Molecular Formula C18H22O3
Molecular Weight 286.3655
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ESTROLOLACTONE

SMILES

C[C@]12CC[C@H]3[C@@H](CCC4=C3C=CC(O)=C4)[C@@H]1CCC(=O)O2

InChI

InChIKey=FWJIMKYKNBCAJA-CBZIJGRNSA-N
InChI=1S/C18H22O3/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(20)21-18/h3,5,10,14-16,19H,2,4,6-9H2,1H3/t14-,15-,16+,18+/m1/s1

HIDE SMILES / InChI

Molecular Formula C18H22O3
Molecular Weight 286.3655
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 21:56:43 GMT 2025
Edited
by admin
on Mon Mar 31 21:56:43 GMT 2025
Record UNII
4VR2FJ2C9D
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ESTROLOLACTONE
Common Name English
NSC-12172
Preferred Name English
13,17-SECOESTRA-1,3,5(10)-TRIEN-17-OIC ACID, 3,13-DIHYDROXY-, .DELTA.-LACTONE
Systematic Name English
2H-PHENANTHRO(2,1-B)PYRAN-2-ONE, 3,4,4A,4B,5,6,10B,11,12,12A-DECAHYDRO-8-HYDROXY-12A-METHYL-, (4AS,4BR,10BS,12AS)-
Systematic Name English
2H-PHENANTHRO(2,1-B)PYRAN-2-ONE, 3,4,4A,4B,5,6,10B,11,12,12A-DECAHYDRO-8-HYDROXY-12A-METHYL-, (4AS-(4A.ALPHA.,4B.BETA.,10B.ALPHA.,12A.BETA.))-
Systematic Name English
D-HOMO-17A-OXAESTRA-1,3,5(10)-TRIEN-17-ONE, 3-HYDROXY-
Common Name English
Code System Code Type Description
FDA UNII
4VR2FJ2C9D
Created by admin on Mon Mar 31 21:56:43 GMT 2025 , Edited by admin on Mon Mar 31 21:56:43 GMT 2025
PRIMARY
NSC
12172
Created by admin on Mon Mar 31 21:56:43 GMT 2025 , Edited by admin on Mon Mar 31 21:56:43 GMT 2025
PRIMARY
PUBCHEM
223999
Created by admin on Mon Mar 31 21:56:43 GMT 2025 , Edited by admin on Mon Mar 31 21:56:43 GMT 2025
PRIMARY
CAS
604-82-0
Created by admin on Mon Mar 31 21:56:43 GMT 2025 , Edited by admin on Mon Mar 31 21:56:43 GMT 2025
PRIMARY
EPA CompTox
DTXSID601108277
Created by admin on Mon Mar 31 21:56:43 GMT 2025 , Edited by admin on Mon Mar 31 21:56:43 GMT 2025
PRIMARY