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Details

Stereochemistry RACEMIC
Molecular Formula C19H24O2
Molecular Weight 284.3927
Optical Activity ( + / - )
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 8-ISOESTRONE METHYL ETHER, (±)-

SMILES

COC1=CC=C2[C@H]3CC[C@@]4(C)[C@@H](CCC4=O)[C@H]3CCC2=C1

InChI

InChIKey=BCWWDWHFBMPLFQ-DFEOGRTESA-N
InChI=1S/C19H24O2/c1-19-10-9-15-14-6-4-13(21-2)11-12(14)3-5-16(15)17(19)7-8-18(19)20/h4,6,11,15-17H,3,5,7-10H2,1-2H3/t15-,16+,17+,19+/m1/s1

HIDE SMILES / InChI

Molecular Formula C19H24O2
Molecular Weight 284.3927
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 22:53:07 GMT 2025
Edited
by admin
on Mon Mar 31 22:53:07 GMT 2025
Record UNII
PZL30K9T42
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(±)-8.ALPHA.-ESTRONE METHYL ETHER
Preferred Name English
8-ISOESTRONE METHYL ETHER, (±)-
Common Name English
8-ISOESTRONE DL-METHYL ETHER [MI]
Common Name English
8-ISOESTRONE METHYL ETHER, DL-
Common Name English
ESTRA-1,3,5(10)-TRIEN-17-ONE, 3-METHOXY-, (8.ALPHA.)-(±)-
Systematic Name English
Code System Code Type Description
FDA UNII
PZL30K9T42
Created by admin on Mon Mar 31 22:53:07 GMT 2025 , Edited by admin on Mon Mar 31 22:53:07 GMT 2025
PRIMARY
CAS
2445-27-4
Created by admin on Mon Mar 31 22:53:07 GMT 2025 , Edited by admin on Mon Mar 31 22:53:07 GMT 2025
PRIMARY
MERCK INDEX
m6483
Created by admin on Mon Mar 31 22:53:07 GMT 2025 , Edited by admin on Mon Mar 31 22:53:07 GMT 2025
PRIMARY Merck Index
PUBCHEM
7092634
Created by admin on Mon Mar 31 22:53:07 GMT 2025 , Edited by admin on Mon Mar 31 22:53:07 GMT 2025
PRIMARY